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

C29H28FN3O4 — CID 93203419

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

(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93203419) has the molecular formula C29H28FN3O4 and a molecular weight of 501.56 g/mol. Its IUPAC name is (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93203419
• Molecular Formula: C29H28FN3O4
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.21
• IUPAC Name: (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(F)c4)[C@H]3C(=O)NCC3CC3)cc2)cc1
• InChI: InChI=1S/C29H28FN3O4/c1-18-5-9-22(10-6-18)27(34)32-24-13-11-21(12-14-24)26-25(28(35)31-16-19-7-8-19)33(29(36)37-26)17-20-3-2-4-23(30)15-20/h2-6,9-15,19,25-26H,7-8,16-17H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1
• InChIKey: WTAPCKYLKBDSDV-CLJLJLNGSA-N
• XLogP: 4.97
• 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	501.56
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93203419) is (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(F)c4)[C@H]3C(=O)NCC3CC3)cc2)cc1.

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

The InChIKey is WTAPCKYLKBDSDV-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H28FN3O4/c1-18-5-9-22(10-6-18)27(34)32-24-13-11-21(12-14-24)26-25(28(35)31-16-19-7-8-19)33(29(36)37-26)17-20-3-2-4-23(30)15-20/h2-6,9-15,19,25-26H,7-8,16-17H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m1/s1.

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

(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93203419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).