5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile

C11H6Cl2N2O2 — CID 116858945

IUPAC5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)no2)c(Cl)c1Cl
InChIInChI=1S/C11H6Cl2N2O2/c1-16-8-3-2-7(10(12)11(8)13)9-4-6(5-14)15-17-9/h2-4H,1H3
InChIKeyGMSRWRLNVJHGLG-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.53
Rot. Bonds2

About 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile

5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858945) has the molecular formula C11H6Cl2N2O2 and a molecular weight of 269.09 g/mol. Its IUPAC name is 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
PubChem CID116858945
Molecular FormulaC11H6Cl2N2O2
Molecular Weight269.09 g/mol
Exact Mass267.98
IUPAC Name5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)no2)c(Cl)c1Cl
InChIInChI=1S/C11H6Cl2N2O2/c1-16-8-3-2-7(10(12)11(8)13)9-4-6(5-14)15-17-9/h2-4H,1H3
InChIKeyGMSRWRLNVJHGLG-UHFFFAOYSA-N
XLogP3.53
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-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

5-(2,3-dichloro-4-methoxyphenyl)-1H-pyrazole-3-carbonitrile
CID 116858586
5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858882
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858895
5-(3-chloro-4-ethoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858887
5-(4-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858956
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
CID 116858958
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
3-chloro-4-methoxy-2-methylbenzonitrile
CID 163388900
5-(2,4-dimethoxy-3-methylphenyl)-1H-pyrazole-3-carbonitrile
CID 116858553
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile (CID 116858945) is 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile is COc1ccc(-c2cc(C#N)no2)c(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is GMSRWRLNVJHGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2/c1-16-8-3-2-7(10(12)11(8)13)9-4-6(5-14)15-17-9/h2-4H,1H3.
What are the key properties of 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 269.09 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).