(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid

C23H19FN2O4 — CID 7353086

IUPAC(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@H]1C(=O)O
InChIInChI=1S/C23H19FN2O4/c24-16-11-13-17(14-12-16)25-22(27)19-20(15-7-3-1-4-8-15)26(30-21(19)23(28)29)18-9-5-2-6-10-18/h1-14,19-21H,(H,25,27)(H,28,29)/t19-,20+,21+/m0/s1
InChIKeyONDFJSDDIDXXQC-PWRODBHTSA-N
MW406.41 g/mol
LogP4.03
Rot. Bonds5

About (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid

(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid (PubChem CID 7353086) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
PubChem CID7353086
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
SMILESO=C(Nc1ccc(F)cc1)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@H]1C(=O)O
InChIInChI=1S/C23H19FN2O4/c24-16-11-13-17(14-12-16)25-22(27)19-20(15-7-3-1-4-8-15)26(30-21(19)23(28)29)18-9-5-2-6-10-18/h1-14,19-21H,(H,25,27)(H,28,29)/t19-,20+,21+/m0/s1
InChIKeyONDFJSDDIDXXQC-PWRODBHTSA-N
XLogP4.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S,5R)-3-(4-chlorophenyl)-4-[(4-fluorophenyl)carbamoyl]-2-phenyl-1,2-oxazolidine-5-carboxylic acid
CID 26371547
(3S,4S,5R)-4-[(4-chlorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 51505881
(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 26370580
(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 11898975
(1R,2R,3R,4S)-3-[(4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 1223401
(1S,2R,3R,4R)-3-[(4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11871833
(1R,2S,3R,4R)-3-[(4-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124579476
N-(4-fluorophenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
CID 110689144
(2R,3S)-3-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636498
(1S,2S,3S,5R,6S,7R)-1,5-bis(4-chlorophenyl)-2,7-bis[(4-fluorophenyl)carbamoyl]-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole-3,6-dicarboxylic acid
CID 124780142
(1S,2S,3S,5S,6S,7R)-1,5-bis(4-chlorophenyl)-2,7-bis[(4-fluorophenyl)carbamoyl]-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole-3,6-dicarboxylic acid
CID 124780145
(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
CID 10517014

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The IUPAC name of (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid (CID 7353086) is (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The canonical SMILES for (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid is O=C(Nc1ccc(F)cc1)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@H]1C(=O)O.
What is the InChIKey of (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The InChIKey is ONDFJSDDIDXXQC-PWRODBHTSA-N. The full InChI is InChI=1S/C23H19FN2O4/c24-16-11-13-17(14-12-16)25-22(27)19-20(15-7-3-1-4-8-15)26(30-21(19)23(28)29)18-9-5-2-6-10-18/h1-14,19-21H,(H,25,27)(H,28,29)/t19-,20+,21+/m0/s1.
What are the key properties of (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
(3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid has a molecular weight of 406.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-[(4-fluorophenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 7353086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).