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

C25H29N3O4 — CID 93202485

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

(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93202485) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93202485
• Molecular Formula: C25H29N3O4
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.22
• IUPAC Name: (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCC2CC2)c1
• InChI: InChI=1S/C25H29N3O4/c1-3-21(29)27-20-6-4-5-19(13-20)23-22(24(30)26-14-17-11-12-17)28(25(31)32-23)15-18-9-7-16(2)8-10-18/h4-10,13,17,22-23H,3,11-12,14-15H2,1-2H3,(H,26,30)(H,27,29)/t22-,23+/m1/s1
• InChIKey: HDEUROJLLPMJNP-PKTZIBPZSA-N
• XLogP: 3.93
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 93202485) is (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

The canonical SMILES for (4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCC(=O)Nc1cccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)NCC2CC2)c1.

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

The InChIKey is HDEUROJLLPMJNP-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-21(29)27-20-6-4-5-19(13-20)23-22(24(30)26-14-17-11-12-17)28(25(31)32-23)15-18-9-7-16(2)8-10-18/h4-10,13,17,22-23H,3,11-12,14-15H2,1-2H3,(H,26,30)(H,27,29)/t22-,23+/m1/s1.

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

(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.93, 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)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).