N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

C67H75N11O10S — CID 158982348

About N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol

N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 158982348) has the molecular formula C67H75N11O10S and a molecular weight of 1226.47 g/mol. Its IUPAC name is N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

• Compound Name: N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
• PubChem CID: 158982348
• Molecular Formula: C67H75N11O10S
• Molecular Weight: 1226.47 g/mol
• Exact Mass: 1225.54
• IUPAC Name: N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol
• SMILES: CCOc1ccc(-c2nc(-c3ccnc(C(=O)NCCO)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc4c3CCC4NCCN(CC)CC)no2)cc1OCC.Cc1sc(-c2nc(-c3ccc(CCO)cc3)no2)cc1-c1ccccc1
• InChI: InChI=1S/C26H35N5O3.C21H18N2O2S.C20H22N4O5/c1-5-31(6-2)16-15-27-21-11-10-19-20(13-14-28-24(19)21)25-29-26(34-30-25)18-9-12-22(32-7-3)23(17-18)33-8-4;1-14-18(16-5-3-2-4-6-16)13-19(26-14)21-22-20(23-25-21)17-9-7-15(8-10-17)11-12-24;1-3-27-16-6-5-14(12-17(16)28-4-2)20-23-18(24-29-20)13-7-8-21-15(11-13)19(26)22-9-10-25/h9,12-14,17,21,27H,5-8,10-11,15-16H2,1-4H3;2-10,13,24H,11-12H2,1H3;5-8,11-12,25H,3-4,9-10H2,1-2H3,(H,22,26)
• InChIKey: JPDVRWKATGRDCE-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 264.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.47
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?

The IUPAC name of N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 158982348) is N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

What is the SMILES notation for N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?

The canonical SMILES for N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is CCOc1ccc(-c2nc(-c3ccnc(C(=O)NCCO)c3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3ccnc4c3CCC4NCCN(CC)CC)no2)cc1OCC.Cc1sc(-c2nc(-c3ccc(CCO)cc3)no2)cc1-c1ccccc1.

What is the InChIKey of N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?

The InChIKey is JPDVRWKATGRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.C21H18N2O2S.C20H22N4O5/c1-5-31(6-2)16-15-27-21-11-10-19-20(13-14-28-24(19)21)25-29-26(34-30-25)18-9-12-22(32-7-3)23(17-18)33-8-4;1-14-18(16-5-3-2-4-6-16)13-19(26-14)21-22-20(23-25-21)17-9-7-15(8-10-17)11-12-24;1-3-27-16-6-5-14(12-17(16)28-4-2)20-23-18(24-29-20)13-7-8-21-15(11-13)19(26)22-9-10-25/h9,12-14,17,21,27H,5-8,10-11,15-16H2,1-4H3;2-10,13,24H,11-12H2,1H3;5-8,11-12,25H,3-4,9-10H2,1-2H3,(H,22,26).

What are the key properties of N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol?

N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 1226.47 g/mol, XLogP of 11.81, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N',N'-diethylethane-1,2-diamine;4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-hydroxyethyl)pyridine-2-carboxamide;2-[4-[5-(5-methyl-4-phenylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 158982348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).