2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile

C12H9Cl2N3O2 — CID 939638

IUPAC2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N
InChIInChI=1S/C12H9Cl2N3O2/c1-16-12-9(5-15)17-11(19-12)6-18-10-3-2-7(13)4-8(10)14/h2-4,16H,6H2,1H3
InChIKeyGJQSVGWPPKYQCZ-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.47
Rot. Bonds4

About 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile

2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 939638) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
PubChem CID939638
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N
InChIInChI=1S/C12H9Cl2N3O2/c1-16-12-9(5-15)17-11(19-12)6-18-10-3-2-7(13)4-8(10)14/h2-4,16H,6H2,1H3
InChIKeyGJQSVGWPPKYQCZ-UHFFFAOYSA-N
XLogP3.47
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,4-dichlorophenoxy)methyl]-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

Related Compounds

2-[(2,4-dichlorophenoxy)methyl]-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
CID 18822806
2-[(3-chlorophenoxy)methyl]-5-(2-methoxyethylamino)-1,3-oxazole-4-carbonitrile
CID 18822834
3-chloro-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzonitrile
CID 47388347
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
2-[(3-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
CID 2014270
5-(ethylamino)-2-[(2-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 1080237
3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 18822680
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
2-[(2-methylphenoxy)methyl]-5-(2-methylpropylamino)-1,3-oxazole-4-carbonitrile
CID 976751
1-[2-[(2,4-dichlorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82190991

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile (CID 939638) is 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile is CNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is GJQSVGWPPKYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-16-12-9(5-15)17-11(19-12)6-18-10-3-2-7(13)4-8(10)14/h2-4,16H,6H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile?
2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 298.13 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 939638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).