3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile

C14H12ClN3O — CID 1476881

IUPAC3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile
SMILESCN(C)/C=C/c1onc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-18(2)8-7-13-11(9-16)14(17-19-13)10-5-3-4-6-12(10)15/h3-8H,1-2H3/b8-7+
InChIKeyOUDUSMQNUHFWFZ-BQYQJAHWSA-N
MW273.72 g/mol
LogP3.40
Rot. Bonds3

About 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile

3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile (PubChem CID 1476881) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile
PubChem CID1476881
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile
SMILESCN(C)/C=C/c1onc(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-18(2)8-7-13-11(9-16)14(17-19-13)10-5-3-4-6-12(10)15/h3-8H,1-2H3/b8-7+
InChIKeyOUDUSMQNUHFWFZ-BQYQJAHWSA-N
XLogP3.40
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-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 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile (CID 1476881) is 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile is CN(C)/C=C/c1onc(-c2ccccc2Cl)c1C#N.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile?
The InChIKey is OUDUSMQNUHFWFZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18(2)8-7-13-11(9-16)14(17-19-13)10-5-3-4-6-12(10)15/h3-8H,1-2H3/b8-7+.
What are the key properties of 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile?
3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 1476881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).