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

C30H31N3O5 — CID 129421071

IUPAC(4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C30H31N3O5/c1-20-8-5-12-23(16-20)28(34)32-24-13-6-11-22(17-24)27-26(29(35)31-18-25-14-7-15-37-25)33(30(36)38-27)19-21-9-3-2-4-10-21/h2-6,8-13,16-17,25-27H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,34)/t25-,26+,27+/m1/s1
InChIKeyNKHNAVYVCXFJIT-PVHODMMVSA-N
MW513.59 g/mol
LogP4.60
Rot. Bonds8

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

(4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 129421071) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide
PubChem CID129421071
Molecular FormulaC30H31N3O5
Molecular Weight513.59 g/mol
Exact Mass513.23
IUPAC Name(4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NC[C@H]3CCCO3)c2)c1
InChIInChI=1S/C30H31N3O5/c1-20-8-5-12-23(16-20)28(34)32-24-13-6-11-22(17-24)27-26(29(35)31-18-25-14-7-15-37-25)33(30(36)38-27)19-21-9-3-2-4-10-21/h2-6,8-13,16-17,25-27H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,34)/t25-,26+,27+/m1/s1
InChIKeyNKHNAVYVCXFJIT-PVHODMMVSA-N
XLogP4.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5S)-3-[(4-methylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202483
(4R,5R)-5-[4-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide
CID 98423359
N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
CID 93202273
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202146
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191
(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202656
(4R,5R)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202579
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
5-(3-benzamidophenyl)-3-benzyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841060
5-(3-benzamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021322
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 93202513
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide (CID 129421071) is (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide is Cc1cccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccccc4)[C@@H]3C(=O)NC[C@H]3CCCO3)c2)c1.
What is the InChIKey of (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is NKHNAVYVCXFJIT-PVHODMMVSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-20-8-5-12-23(16-20)28(34)32-24-13-6-11-22(17-24)27-26(29(35)31-18-25-14-7-15-37-25)33(30(36)38-27)19-21-9-3-2-4-10-21/h2-6,8-13,16-17,25-27H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,34)/t25-,26+,27+/m1/s1.
What are the key properties of (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide?
(4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 513.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-[3-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 129421071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).