N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

C19H19N5O3 — CID 92502530

About N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (PubChem CID 92502530) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• PubChem CID: 92502530
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)ncn3C)no1
• InChI: InChI=1S/C19H19N5O3/c1-11(2)16(21-18(25)15-5-4-8-26-15)19-22-17(23-27-19)12-6-7-14-13(9-12)20-10-24(14)3/h4-11,16H,1-3H3,(H,21,25)/t16-/m0/s1
• InChIKey: OXKRERNYKPZBLG-INIZCTEOSA-N
• XLogP: 3.34
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (CID 92502530) is N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)ncn3C)no1.

What is the InChIKey of N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The InChIKey is OXKRERNYKPZBLG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11(2)16(21-18(25)15-5-4-8-26-15)19-22-17(23-27-19)12-6-7-14-13(9-12)20-10-24(14)3/h4-11,16H,1-3H3,(H,21,25)/t16-/m0/s1.

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

N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methyl-1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 92502530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).