2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

C12H10ClN3O — CID 18822681

IUPAC2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2cccc(Cl)c2)nc1C#N
InChIInChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyCJCPZKLESNPXLL-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.93
Rot. Bonds2

About 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 18822681) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID18822681
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2cccc(Cl)c2)nc1C#N
InChIInChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChIKeyCJCPZKLESNPXLL-UHFFFAOYSA-N
XLogP2.93
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-5-(dimethylamino)-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

Related Compounds

2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 18822680
2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 18822676
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
2-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)-methylamino]acetic acid
CID 155943118
2-(3-chlorophenyl)-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 4646747
2-(3-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 943094
2-(3-chlorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 939231
5-(3-chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 2739769
5-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 167819624
5-[4-cyano-5-(dimethylamino)-1,3-oxazol-2-yl]-N-methyl-N-phenylfuran-2-sulfonamide
CID 56762398
2-chloro-4-(3-chlorophenyl)benzonitrile
CID 70699654
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (CID 18822681) is 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is CN(C)c1oc(-c2cccc(Cl)c2)nc1C#N.
What is the InChIKey of 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is CJCPZKLESNPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-4-3-5-9(13)6-8/h3-6H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18822681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).