3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

C10H7FN2O — CID 42647384

IUPAC3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESN#CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2
InChIKeyMCAQGWFDFHCMPC-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.84
Rot. Bonds1

About 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile

3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile (PubChem CID 42647384) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
PubChem CID42647384
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESN#CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2
InChIKeyMCAQGWFDFHCMPC-UHFFFAOYSA-N
XLogP1.84
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile (CID 42647384) is 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile is N#CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The InChIKey is MCAQGWFDFHCMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5H2.
What are the key properties of 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile?
3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile has a molecular weight of 190.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 42647384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).