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

C20H21N5O3 — CID 95102314

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

N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 95102314) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
• PubChem CID: 95102314
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
• SMILES: CCc1nc2ccc(-c3noc([C@H](C)NC(=O)c4ccco4)n3)cc2n1CC
• InChI: InChI=1S/C20H21N5O3/c1-4-17-22-14-9-8-13(11-15(14)25(17)5-2)18-23-20(28-24-18)12(3)21-19(26)16-7-6-10-27-16/h6-12H,4-5H2,1-3H3,(H,21,26)/t12-/m0/s1
• InChIKey: FIFQVIAIXXSZPU-LBPRGKRZSA-N
• XLogP: 3.75
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide (CID 95102314) is N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide.

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

The canonical SMILES for N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is CCc1nc2ccc(-c3noc([C@H](C)NC(=O)c4ccco4)n3)cc2n1CC.

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

The InChIKey is FIFQVIAIXXSZPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-4-17-22-14-9-8-13(11-15(14)25(17)5-2)18-23-20(28-24-18)12(3)21-19(26)16-7-6-10-27-16/h6-12H,4-5H2,1-3H3,(H,21,26)/t12-/m0/s1.

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

N-[(1S)-1-[3-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.75, 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-(2,3-diethylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 95102314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).