(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C31H26FN3O4 — CID 93202500

IUPAC(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C31H26FN3O4/c1-20-10-12-21(13-11-20)19-35-27(30(37)33-25-16-14-24(32)15-17-25)28(39-31(35)38)23-8-5-9-26(18-23)34-29(36)22-6-3-2-4-7-22/h2-18,27-28H,19H2,1H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1
InChIKeyPFPIYAZLPTYUIT-NSOVKSMOSA-N
MW523.56 g/mol
LogP6.09
Rot. Bonds7

About (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 93202500) has the molecular formula C31H26FN3O4 and a molecular weight of 523.56 g/mol. Its IUPAC name is (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID93202500
Molecular FormulaC31H26FN3O4
Molecular Weight523.56 g/mol
Exact Mass523.19
IUPAC Name(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C31H26FN3O4/c1-20-10-12-21(13-11-20)19-35-27(30(37)33-25-16-14-24(32)15-17-25)28(39-31(35)38)23-8-5-9-26(18-23)34-29(36)22-6-3-2-4-7-22/h2-18,27-28H,19H2,1H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1
InChIKeyPFPIYAZLPTYUIT-NSOVKSMOSA-N
XLogP6.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202166
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
(4S,5S)-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98414746
(4S,5S)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423544
(4S,5R)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423546
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93201973
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191
3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840992
3-benzyl-N-(4-fluorophenyl)-5-[3-(furan-2-carbonylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841008
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003
(4S,5R)-N-(4-fluorophenyl)-5-[4-[(3-methoxybenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98422528

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 93202500) is (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)c4ccccc4)c3)[C@H]2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is PFPIYAZLPTYUIT-NSOVKSMOSA-N. The full InChI is InChI=1S/C31H26FN3O4/c1-20-10-12-21(13-11-20)19-35-27(30(37)33-25-16-14-24(32)15-17-25)28(39-31(35)38)23-8-5-9-26(18-23)34-29(36)22-6-3-2-4-7-22/h2-18,27-28H,19H2,1H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1.
What are the key properties of (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 523.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93202500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).