N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide

C12H11FN2O2 — CID 110693729

IUPACN-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccon1
InChIInChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)5-7-14-12(16)11-6-8-17-15-11/h1-4,6,8H,5,7H2,(H,14,16)
InChIKeyDZDKRUNVCVAGBP-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 110693729) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID110693729
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccon1
InChIInChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)5-7-14-12(16)11-6-8-17-15-11/h1-4,6,8H,5,7H2,(H,14,16)
InChIKeyDZDKRUNVCVAGBP-UHFFFAOYSA-N
XLogP1.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide 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

N-[2-(2-fluorophenyl)ethyl]-1-(1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 75418635
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812055
3-[2-(2-fluorophenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369074
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237279
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094041
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 110693729) is N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCc1ccccc1F)c1ccon1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DZDKRUNVCVAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-2-1-3-9(10)5-7-14-12(16)11-6-8-17-15-11/h1-4,6,8H,5,7H2,(H,14,16).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110693729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).