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

C17H12FN3O — CID 892437

IUPAC5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1
InChIInChI=1S/C17H12FN3O/c18-14-9-5-4-8-13(14)16-21-15(10-19)17(22-16)20-11-12-6-2-1-3-7-12/h1-9,20H,11H2
InChIKeyAGHZEQDXMFREGV-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.96
Rot. Bonds4

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

5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 892437) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
PubChem CID892437
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1
InChIInChI=1S/C17H12FN3O/c18-14-9-5-4-8-13(14)16-21-15(10-19)17(22-16)20-11-12-6-2-1-3-7-12/h1-9,20H,11H2
InChIKeyAGHZEQDXMFREGV-UHFFFAOYSA-N
XLogP3.96
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-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 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile (CID 892437) is 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2F)oc1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is AGHZEQDXMFREGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-9-5-4-8-13(14)16-21-15(10-19)17(22-16)20-11-12-6-2-1-3-7-12/h1-9,20H,11H2.
What are the key properties of 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile?
5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 293.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).