3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid

C13H11FN2O4 — CID 107369074

IUPAC3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCCc1ccccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C13H11FN2O4/c14-9-4-2-1-3-8(9)5-6-15-12(17)10-7-11(13(18)19)20-16-10/h1-4,7H,5-6H2,(H,15,17)(H,18,19)
InChIKeyNWUGCXLCCNJWHI-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.48
Rot. Bonds5

About 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid

3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369074) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369074
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(NCCc1ccccc1F)c1cc(C(=O)O)on1
InChIInChI=1S/C13H11FN2O4/c14-9-4-2-1-3-8(9)5-6-15-12(17)10-7-11(13(18)19)20-16-10/h1-4,7H,5-6H2,(H,15,17)(H,18,19)
InChIKeyNWUGCXLCCNJWHI-UHFFFAOYSA-N
XLogP1.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
3-(3,3-dimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107370011
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
N-[2-(2-fluorophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109308372
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369074) is 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(NCCc1ccccc1F)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is NWUGCXLCCNJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c14-9-4-2-1-3-8(9)5-6-15-12(17)10-7-11(13(18)19)20-16-10/h1-4,7H,5-6H2,(H,15,17)(H,18,19).
What are the key properties of 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 278.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).