N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C20H19N5O2 — CID 55939577

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 55939577) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 55939577
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C20H19N5O2/c1-12(2)18(19-22-14-7-3-4-8-15(14)23-19)24-20(26)16-10-17(27-25-16)13-6-5-9-21-11-13/h3-12,18H,1-2H3,(H,22,23)(H,24,26)/t18-/m0/s1
• InChIKey: VYFCJXHTLDLRNL-SFHVURJKSA-N
• XLogP: 3.74
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 55939577) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

The InChIKey is VYFCJXHTLDLRNL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(2)18(19-22-14-7-3-4-8-15(14)23-19)24-20(26)16-10-17(27-25-16)13-6-5-9-21-11-13/h3-12,18H,1-2H3,(H,22,23)(H,24,26)/t18-/m0/s1.

What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55939577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).