2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide

C30H29FN6O4S — CID 167061394

About 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide

2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide (PubChem CID 167061394) has the molecular formula C30H29FN6O4S and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide
• PubChem CID: 167061394
• Molecular Formula: C30H29FN6O4S
• Molecular Weight: 588.67 g/mol
• Exact Mass: 588.20
• IUPAC Name: 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide
• SMILES: CNC(=O)Cc1cnc(-n2c([C@@H]3CCCC(=O)N3c3ccc(OC)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1
• InChI: InChI=1S/C30H29FN6O4S/c1-16-28(17(2)41-35-16)18-8-10-23-22(12-18)34-29(37(23)30-33-15-20(42-30)14-26(38)32-3)24-6-5-7-27(39)36(24)19-9-11-25(40-4)21(31)13-19/h8-13,15,24H,5-7,14H2,1-4H3,(H,32,38)/t24-/m0/s1
• InChIKey: CUPVWABATQRHQI-DEOSSOPVSA-N
• XLogP: 5.45
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.67
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide?

The IUPAC name of 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide (CID 167061394) is 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide.

What is the SMILES notation for 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide?

The canonical SMILES for 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide is CNC(=O)Cc1cnc(-n2c([C@@H]3CCCC(=O)N3c3ccc(OC)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)s1.

What is the InChIKey of 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide?

The InChIKey is CUPVWABATQRHQI-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H29FN6O4S/c1-16-28(17(2)41-35-16)18-8-10-23-22(12-18)34-29(37(23)30-33-15-20(42-30)14-26(38)32-3)24-6-5-7-27(39)36(24)19-9-11-25(40-4)21(31)13-19/h8-13,15,24H,5-7,14H2,1-4H3,(H,32,38)/t24-/m0/s1.

What are the key properties of 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide?

2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide has a molecular weight of 588.67 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(2S)-1-(3-fluoro-4-methoxyphenyl)-6-oxopiperidin-2-yl]benzimidazol-1-yl]-1,3-thiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 167061394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).