70585755 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 5 5 5 6 6 6 7 7 7 8 8 9 5 17 4 8 4 9 6 7 10 11 12 13 14 15 16 9 18 19 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 2.269 1.6978 2.1978 2.5068 1.403 0.5369 1.403 0.8888 1.1978 1.403 0.8469 0 0.2269 0.783 1.403 2.023 2.8059 0.2991 0.8334 2.12 4.6569 6.1958 5.2447 1.62 2.12 0.62 5.2447 6.1958 2.24 2.6569 2.43 1.5831 0.62 0 0.62 1.81 5.0531 6.6974 8 8 8 8 8 2 2 3 3 8 4 8 4 9 9 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000000000000000000000000000000160000000000000000000000000018000001E000C0800000814E182062E8410000200AB001837C00400040002C2001800009320000210000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 oxadiazole;propan-2-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 oxadiazole;2-propanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 oxadiazole;propan-2-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 oxadiazole;propan-2-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3-oxadiazole;propan-2-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 oxadiazole;propan-2-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H8O.C2H2N2O/c1-3(2)4;1-2-5-4-3-1/h3-4H,1-2H3;1-2H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YJTPIQQNGMLFPZ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 130.074227566 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H10N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 130.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)O.C1=CON=N1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)O.C1=CON=N1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 130.074227566 9 0 0 0 0 0 0 0 2 -1