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

C27H26FN3O4 — CID 93201973

IUPAC(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4/c1-2-15-29-26(33)23-24(35-27(34)31(23)17-18-11-13-21(28)14-12-18)20-9-6-10-22(16-20)30-25(32)19-7-4-3-5-8-19/h3-14,16,23-24H,2,15,17H2,1H3,(H,29,33)(H,30,32)/t23-,24+/m1/s1
InChIKeyJUKLDYKFVOMGLY-RPWUZVMVSA-N
MW475.52 g/mol
LogP4.67
Rot. Bonds8

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

(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (PubChem CID 93201973) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
PubChem CID93201973
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H26FN3O4/c1-2-15-29-26(33)23-24(35-27(34)31(23)17-18-11-13-21(28)14-12-18)20-9-6-10-22(16-20)30-25(32)19-7-4-3-5-8-19/h3-14,16,23-24H,2,15,17H2,1H3,(H,29,33)(H,30,32)/t23-,24+/m1/s1
InChIKeyJUKLDYKFVOMGLY-RPWUZVMVSA-N
XLogP4.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003
(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93200773
(4S,5R)-5-(3-benzamidophenyl)-3-benzyl-N-ethyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202146
(4S,5S)-5-(3-benzamidophenyl)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202500
5-(3-acetamidophenyl)-3-benzyl-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841017
3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840992
(4S,5S)-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98414746
(4R,5S)-5-(3-benzamidophenyl)-N-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202509
5-(3-benzamidophenyl)-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021322
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202166

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (CID 93201973) is (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is CCCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3)c2)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is JUKLDYKFVOMGLY-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-2-15-29-26(33)23-24(35-27(34)31(23)17-18-11-13-21(28)14-12-18)20-9-6-10-22(16-20)30-25(32)19-7-4-3-5-8-19/h3-14,16,23-24H,2,15,17H2,1H3,(H,29,33)(H,30,32)/t23-,24+/m1/s1.
What are the key properties of (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93201973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).