N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C23H22F2N4O2 — CID 16596271

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16596271) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 16596271
• Molecular Formula: C23H22F2N4O2
• Molecular Weight: 424.45 g/mol
• Exact Mass: 424.17
• IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H22F2N4O2/c1-13(2)22(23-27-17-5-3-4-6-18(17)28-23)29-20(30)9-10-21-26-12-19(31-21)15-8-7-14(24)11-16(15)25/h3-8,11-13,22H,9-10H2,1-2H3,(H,27,28)(H,29,30)/t22-/m0/s1
• InChIKey: DUIHDYYTTVRZFW-QFIPXVFZSA-N
• XLogP: 4.94
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.45
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16596271) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

The InChIKey is DUIHDYYTTVRZFW-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-13(2)22(23-27-17-5-3-4-6-18(17)28-23)29-20(30)9-10-21-26-12-19(31-21)15-8-7-14(24)11-16(15)25/h3-8,11-13,22H,9-10H2,1-2H3,(H,27,28)(H,29,30)/t22-/m0/s1.

What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 424.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16596271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).