N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

C23H25N5O3 — CID 92502542

About N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide

N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (PubChem CID 92502542) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
• PubChem CID: 92502542
• Molecular Formula: C23H25N5O3
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.20
• IUPAC Name: N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1
• InChI: InChI=1S/C23H25N5O3/c1-14(2)20(25-22(29)19-8-5-11-30-19)23-26-21(27-31-23)15-9-10-18-17(12-15)24-13-28(18)16-6-3-4-7-16/h5,8-14,16,20H,3-4,6-7H2,1-2H3,(H,25,29)/t20-/m0/s1
• InChIKey: ZLFCBOFOGNHHQI-FQEVSTJZSA-N
• XLogP: 4.92
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide (CID 92502542) is N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1.

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

The InChIKey is ZLFCBOFOGNHHQI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14(2)20(25-22(29)19-8-5-11-30-19)23-26-21(27-31-23)15-9-10-18-17(12-15)24-13-28(18)16-6-3-4-7-16/h5,8-14,16,20H,3-4,6-7H2,1-2H3,(H,25,29)/t20-/m0/s1.

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

N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 92502542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).