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

C25H24N2O5 — CID 26370580

IUPAC(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-31-20-15-13-18(14-16-20)26-24(28)21-22(17-9-5-3-6-10-17)27(32-23(21)25(29)30)19-11-7-4-8-12-19/h3-16,21-23H,2H2,1H3,(H,26,28)(H,29,30)/t21-,22+,23-/m0/s1
InChIKeyLWVYEWWEIPRHFH-ZRBLBEILSA-N
MW432.48 g/mol
LogP4.29
Rot. Bonds7

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

(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid (PubChem CID 26370580) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
PubChem CID26370580
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H24N2O5/c1-2-31-20-15-13-18(14-16-20)26-24(28)21-22(17-9-5-3-6-10-17)27(32-23(21)25(29)30)19-11-7-4-8-12-19/h3-16,21-23H,2H2,1H3,(H,26,28)(H,29,30)/t21-,22+,23-/m0/s1
InChIKeyLWVYEWWEIPRHFH-ZRBLBEILSA-N
XLogP4.29
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 11898975
(3R,4S,5R)-3-(4-chlorophenyl)-4-[(4-fluorophenyl)carbamoyl]-2-phenyl-1,2-oxazolidine-5-carboxylic acid
CID 26371547
16-[(4-ethoxyphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2838145
(1R,2R,3R,4S)-3-[(4-ethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 1377474
(1S,2R,3S,4S)-3-[(4-ethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98101345
(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
(1R,2S,3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98283674
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
(1S,2R,4R,5S,6R,7R)-7-[(4-ethoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124714933
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The IUPAC name of (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid (CID 26370580) is (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The canonical SMILES for (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid is CCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
The InChIKey is LWVYEWWEIPRHFH-ZRBLBEILSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-2-31-20-15-13-18(14-16-20)26-24(28)21-22(17-9-5-3-6-10-17)27(32-23(21)25(29)30)19-11-7-4-8-12-19/h3-16,21-23H,2H2,1H3,(H,26,28)(H,29,30)/t21-,22+,23-/m0/s1.
What are the key properties of (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid?
(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid has a molecular weight of 432.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 26370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).