(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide

C27H25F2N3O4 — CID 93200773

IUPAC(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H25F2N3O4/c1-2-15-30-26(34)23-24(36-27(35)32(23)16-17-3-9-20(28)10-4-17)18-7-13-22(14-8-18)31-25(33)19-5-11-21(29)12-6-19/h3-14,23-24H,2,15-16H2,1H3,(H,30,34)(H,31,33)/t23-,24-/m1/s1
InChIKeyUCZJBUJOFTZOFD-DNQXCXABSA-N
MW493.51 g/mol
LogP4.81
Rot. Bonds8

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

(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (PubChem CID 93200773) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
PubChem CID93200773
Molecular FormulaC27H25F2N3O4
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC Name(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
SMILESCCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C27H25F2N3O4/c1-2-15-30-26(34)23-24(36-27(35)32(23)16-17-3-9-20(28)10-4-17)18-7-13-22(14-8-18)31-25(33)19-5-11-21(29)12-6-19/h3-14,23-24H,2,15-16H2,1H3,(H,30,34)(H,31,33)/t23-,24-/m1/s1
InChIKeyUCZJBUJOFTZOFD-DNQXCXABSA-N
XLogP4.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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,5S)-3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200927
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93201973
(4S,5R)-N-[(2S)-butan-2-yl]-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 99768539
(4S,5R)-3-[(4-fluorophenyl)methyl]-5-[4-[(4-methoxybenzoyl)amino]phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93200872
(4S,5S)-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98414746
3-[(4-fluorophenyl)methyl]-5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42840620
3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42840582
3-benzyl-N-ethyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841003
(4S,5R)-N-benzyl-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98425603
3-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840992
5-(3-benzamidophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 42841191

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide (CID 93200773) is (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is CCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)OC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is UCZJBUJOFTZOFD-DNQXCXABSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c1-2-15-30-26(34)23-24(36-27(35)32(23)16-17-3-9-20(28)10-4-17)18-7-13-22(14-8-18)31-25(33)19-5-11-21(29)12-6-19/h3-14,23-24H,2,15-16H2,1H3,(H,30,34)(H,31,33)/t23-,24-/m1/s1.
What are the key properties of (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide?
(4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 493.51 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[4-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93200773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).