2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

C11H7Cl2N3O — CID 70701465

IUPAC2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(Cl)c(Cl)c2)nc1C#N
InChIInChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
InChIKeyMTKMTALYHIOLPG-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.56
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile

2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 70701465) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID70701465
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC Name2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(Cl)c(Cl)c2)nc1C#N
InChIInChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
InChIKeyMTKMTALYHIOLPG-UHFFFAOYSA-N
XLogP3.56
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-5-(methylamino)-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 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 70701465) is 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(-c2ccc(Cl)c(Cl)c2)nc1C#N.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is MTKMTALYHIOLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 268.10 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 70701465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).