1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide

C22H22N6O2 — CID 95560087

About 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide (PubChem CID 95560087) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide
• PubChem CID: 95560087
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide
• SMILES: Cc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)CCc4ccccc4)c3)c2)n1
• InChI: InChI=1S/C22H22N6O2/c1-15(8-9-17-6-4-3-5-7-17)25-21(29)19-13-28(14-24-19)20-12-18(10-11-23-20)22-26-16(2)27-30-22/h3-7,10-15H,8-9H2,1-2H3,(H,25,29)/t15-/m0/s1
• InChIKey: LWXYADIMVPFAIK-HNNXBMFYSA-N
• XLogP: 3.38
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide (CID 95560087) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide.

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

The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide is Cc1noc(-c2ccnc(-n3cnc(C(=O)N[C@@H](C)CCc4ccccc4)c3)c2)n1.

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

The InChIKey is LWXYADIMVPFAIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15(8-9-17-6-4-3-5-7-17)25-21(29)19-13-28(14-24-19)20-12-18(10-11-23-20)22-26-16(2)27-30-22/h3-7,10-15H,8-9H2,1-2H3,(H,25,29)/t15-/m0/s1.

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 95560087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).