(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C30H31N3O4 — CID 93201495

About (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93201495) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93201495
• Molecular Formula: C30H31N3O4
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.23
• IUPAC Name: (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccc(C)c4)cc3)[C@@H]2C(=O)NCC2CC2)cc1
• InChI: InChI=1S/C30H31N3O4/c1-19-6-8-22(9-7-19)18-33-26(29(35)31-17-21-10-11-21)27(37-30(33)36)23-12-14-25(15-13-23)32-28(34)24-5-3-4-20(2)16-24/h3-9,12-16,21,26-27H,10-11,17-18H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1
• InChIKey: FYQSEIGALGUESS-SXOMAYOGSA-N
• XLogP: 5.14
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93201495) is (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccc(C)c4)cc3)[C@@H]2C(=O)NCC2CC2)cc1.

What is the InChIKey of (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is FYQSEIGALGUESS-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-19-6-8-22(9-7-19)18-33-26(29(35)31-17-21-10-11-21)27(37-30(33)36)23-12-14-25(15-13-23)32-28(34)24-5-3-4-20(2)16-24/h3-9,12-16,21,26-27H,10-11,17-18H2,1-2H3,(H,31,35)(H,32,34)/t26-,27+/m1/s1.

What are the key properties of (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?

(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93201495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).