N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C24H25N5O4 — CID 31511120

About N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 31511120) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 31511120
• Molecular Formula: C24H25N5O4
• Molecular Weight: 447.50 g/mol
• Exact Mass: 447.19
• IUPAC Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: COc1cc(OC)cc([C@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2nccn2C)c1
• InChI: InChI=1S/C24H25N5O4/c1-29-12-11-25-23(29)22(17-13-18(31-2)15-19(14-17)32-3)26-20(30)9-10-21-27-28-24(33-21)16-7-5-4-6-8-16/h4-8,11-15,22H,9-10H2,1-3H3,(H,26,30)/t22-/m0/s1
• InChIKey: QPOMUSWFWIPZKM-QFIPXVFZSA-N
• XLogP: 3.33
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 31511120) is N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is COc1cc(OC)cc([C@H](NC(=O)CCc2nnc(-c3ccccc3)o2)c2nccn2C)c1.

What is the InChIKey of N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is QPOMUSWFWIPZKM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-29-12-11-25-23(29)22(17-13-18(31-2)15-19(14-17)32-3)26-20(30)9-10-21-27-28-24(33-21)16-7-5-4-6-8-16/h4-8,11-15,22H,9-10H2,1-3H3,(H,26,30)/t22-/m0/s1.

What are the key properties of N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 447.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 31511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).