5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid

C14H13ClN2O4 — CID 163314828

IUPAC5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(N2CCOCC2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-9(2-4-10)12-11(14(18)19)13(16-21-12)17-5-7-20-8-6-17/h1-4H,5-8H2,(H,18,19)
InChIKeyGCFFOSBFZWQLQA-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.53
Rot. Bonds3

About 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid

5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 163314828) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
PubChem CID163314828
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(N2CCOCC2)noc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-9(2-4-10)12-11(14(18)19)13(16-21-12)17-5-7-20-8-6-17/h1-4H,5-8H2,(H,18,19)
InChIKeyGCFFOSBFZWQLQA-UHFFFAOYSA-N
XLogP2.53
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-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

5-(4-chlorophenyl)-3-[(3R,4S)-3,4-dihydroxypiperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163306699
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
5-(4-chlorophenyl)-3-[3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163305182
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135099423
(4-aminopiperidin-1-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135087587
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 135105344
4-(3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 135096385
N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135115347
2-azaspiro[4.6]undecan-2-yl-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135092562
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 135118204
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135120437
[2-(aminomethyl)morpholin-4-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone;hydrochloride
CID 154916307

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid (CID 163314828) is 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(N2CCOCC2)noc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is GCFFOSBFZWQLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-10-3-1-9(2-4-10)12-11(14(18)19)13(16-21-12)17-5-7-20-8-6-17/h1-4H,5-8H2,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid?
5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 308.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-morpholin-4-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163314828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).