1433282 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 15 15 16 16 16 18 18 19 20 21 21 22 23 23 14 18 23 19 23 9 14 33 6 7 15 17 8 17 10 11 24 12 25 26 13 27 28 13 29 30 31 32 15 34 35 17 20 21 19 20 22 36 22 37 38 39 40 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 4.3961 11.0122 11.0122 4.5772 6.3852 7.3633 5.8852 6.5543 3.5827 3.0827 2.9136 2.1045 2 4.9839 5.9785 8.3339 7.4679 10.0659 10.0659 9.1999 8.3339 9.1999 11.5958 3.9204 3.6491 2.8911 2.6035 3.4151 2.0397 1.4845 1.3936 1.8084 4.9416 6.58 5.9352 9.1999 7.797 9.1999 12.0566 12.0566 0.3592 -1.2476 -2.857 2.0818 0.1501 -0.0578 -0.7159 -1.459 2.1863 3.0523 1.4431 2.8444 1.8499 1.1682 1.0637 -1.5523 -1.0523 -1.5523 -2.5523 -1.0523 -2.5523 -3.0523 -2.0523 2.7062 3.3045 3.642 0.9062 1.0787 3.461 2.8444 1.9788 1.2602 2.5833 1.2137 1.6822 -0.4323 -2.8623 -3.6723 -2.467 -1.6376 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 16 16 18 18 19 21 6 7 17 8 17 20 21 19 20 22 22 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 431 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073B0000000000000000000000000000001E244000030000000000000004801C000001E00180000000C2CC19B07311E86C00400AA022372300092080220A0001C88A0AE8C981D66A284B11BB4302264DE118EA807B0D0100E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclopentyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)-2-tetrazolyl]-N-cyclopentylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-<I>N</I>-cyclopentylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclopentylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-2-yl]-N-cyclopentyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclopentyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H17N5O3/c21-14(16-11-3-1-2-4-11)8-20-18-15(17-19-20)10-5-6-12-13(7-10)23-9-22-12/h5-7,11H,1-4,8-9H2,(H,16,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VACRURPVQUCCKU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.13313942 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H17N5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC(=O)CN2N=C(N=N2)C3=CC4=C(C=C3)OCO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(C1)NC(=O)CN2N=C(N=N2)C3=CC4=C(C=C3)OCO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 91.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.13313942 23 0 0 0 0 0 0 0 1 -1