1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide

C24H26N6O3 — CID 95560131

About 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide (PubChem CID 95560131) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide
• PubChem CID: 95560131
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide
• SMILES: COc1ccc([C@H](C)NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1
• InChI: InChI=1S/C24H26N6O3/c1-15(16-8-10-17(32-5)11-9-16)27-21(31)19-13-30(14-26-19)20-18(7-6-12-25-20)22-28-23(29-33-22)24(2,3)4/h6-15H,1-5H3,(H,27,31)/t15-/m0/s1
• InChIKey: JNOBMRJFCUFTFM-HNNXBMFYSA-N
• XLogP: 4.11
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide?

The IUPAC name of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide (CID 95560131) is 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide?

The canonical SMILES for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide is COc1ccc([C@H](C)NC(=O)c2cn(-c3ncccc3-c3nc(C(C)(C)C)no3)cn2)cc1.

What is the InChIKey of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide?

The InChIKey is JNOBMRJFCUFTFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15(16-8-10-17(32-5)11-9-16)27-21(31)19-13-30(14-26-19)20-18(7-6-12-25-20)22-28-23(29-33-22)24(2,3)4/h6-15H,1-5H3,(H,27,31)/t15-/m0/s1.

What are the key properties of 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide?

1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 95560131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).