N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide

C16H19FN4O2 — CID 50948697

About N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide (PubChem CID 50948697) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
• PubChem CID: 50948697
• Molecular Formula: C16H19FN4O2
• Molecular Weight: 318.35 g/mol
• Exact Mass: 318.15
• IUPAC Name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide
• SMILES: CCC1=NOC(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)C1
• InChI: InChI=1S/C16H19FN4O2/c1-2-11-8-12(23-21-11)9-18-16(22)6-5-15-19-13-4-3-10(17)7-14(13)20-15/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,18,22)(H,19,20)
• InChIKey: XVMYMZPLVLSQNU-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 79.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.35
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide?

The IUPAC name of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide (CID 50948697) is N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide.

What is the SMILES notation for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide?

The canonical SMILES for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide is CCC1=NOC(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)C1.

What is the InChIKey of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide?

The InChIKey is XVMYMZPLVLSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-11-8-12(23-21-11)9-18-16(22)6-5-15-19-13-4-3-10(17)7-14(13)20-15/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,18,22)(H,19,20).

What are the key properties of N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide?

N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-(6-fluoro-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 50948697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).