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

C28H26ClN3O4 — CID 93202656

IUPAC(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C28H26ClN3O4/c1-17-8-10-18(11-9-17)16-32-24(27(34)30-22-12-13-22)25(36-28(32)35)19-4-3-7-23(15-19)31-26(33)20-5-2-6-21(29)14-20/h2-11,14-15,22,24-25H,12-13,16H2,1H3,(H,30,34)(H,31,33)/t24-,25+/m0/s1
InChIKeyUOMCDRJDIKUHEA-LOSJGSFVSA-N
MW503.99 g/mol
LogP5.24
Rot. Bonds7

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

(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202656) has the molecular formula C28H26ClN3O4 and a molecular weight of 503.99 g/mol. Its IUPAC name is (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID93202656
Molecular FormulaC28H26ClN3O4
Molecular Weight503.99 g/mol
Exact Mass503.16
IUPAC Name(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)[C@H]2C(=O)NC2CC2)cc1
InChIInChI=1S/C28H26ClN3O4/c1-17-8-10-18(11-9-17)16-32-24(27(34)30-22-12-13-22)25(36-28(32)35)19-4-3-7-23(15-19)31-26(33)20-5-2-6-21(29)14-20/h2-11,14-15,22,24-25H,12-13,16H2,1H3,(H,30,34)(H,31,33)/t24-,25+/m0/s1
InChIKeyUOMCDRJDIKUHEA-LOSJGSFVSA-N
XLogP5.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840798
(4S,5S)-N-[(2S)-butan-2-yl]-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202645
5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841230
(4R,5S)-N-cyclopropyl-5-[3-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93206807
(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 98173835
(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
5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840936
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
3-[(3-chlorophenyl)methyl]-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841334
(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202500
(4R,5R)-5-[3-[(4-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202523

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202656) is (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@H](c3cccc(NC(=O)c4cccc(Cl)c4)c3)[C@H]2C(=O)NC2CC2)cc1.
What is the InChIKey of (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is UOMCDRJDIKUHEA-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H26ClN3O4/c1-17-8-10-18(11-9-17)16-32-24(27(34)30-22-12-13-22)25(36-28(32)35)19-4-3-7-23(15-19)31-26(33)20-5-2-6-21(29)14-20/h2-11,14-15,22,24-25H,12-13,16H2,1H3,(H,30,34)(H,31,33)/t24-,25+/m0/s1.
What are the key properties of (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[3-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).