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

C27H26FN3O4 — CID 93202810

IUPAC(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-10-8-17(2)9-11-18)19-12-14-20(15-13-19)30-25(32)21-6-4-5-7-22(21)28/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32)/t23-,24-/m0/s1
InChIKeyNSVOPJOZMUOLCG-ZEQRLZLVSA-N
MW475.52 g/mol
LogP4.58
Rot. Bonds7

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

(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202810) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID93202810
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-10-8-17(2)9-11-18)19-12-14-20(15-13-19)30-25(32)21-6-4-5-7-22(21)28/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32)/t23-,24-/m0/s1
InChIKeyNSVOPJOZMUOLCG-ZEQRLZLVSA-N
XLogP4.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

3-benzyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841263
5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841241
N-benzyl-3-[(4-fluorophenyl)methyl]-5-[4-[(2-methoxybenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841255
(4R,5R)-N-(3-fluorophenyl)-5-[4-[(2-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98423475
(4R,5S)-3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200927
(4R,5R)-3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200926
(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93200773
5-[4-(butanoylamino)phenyl]-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021057
(4R,5R)-5-(4-acetamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201336
5-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840786
N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841433
(4R,5S)-N-(cyclopropylmethyl)-5-[4-[(3-methylbenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201495

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202810) is (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is CCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccccc3F)cc2)OC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is NSVOPJOZMUOLCG-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-3-29-26(33)23-24(35-27(34)31(23)16-18-10-8-17(2)9-11-18)19-12-14-20(15-13-19)30-25(32)21-6-4-5-7-22(21)28/h4-15,23-24H,3,16H2,1-2H3,(H,29,33)(H,30,32)/t23-,24-/m0/s1.
What are the key properties of (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-ethyl-5-[4-[(2-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).