3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine

C12H10Cl2N2O — CID 57361826

IUPAC3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(C=Cc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(15)11(16-17-7)5-3-8-2-4-9(13)10(14)6-8/h2-6H,15H2,1H3
InChIKeyGPHNXQBQFDYMHN-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.04
Rot. Bonds2

About 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine

3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine (PubChem CID 57361826) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
PubChem CID57361826
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine
SMILESCc1onc(C=Cc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(15)11(16-17-7)5-3-8-2-4-9(13)10(14)6-8/h2-6H,15H2,1H3
InChIKeyGPHNXQBQFDYMHN-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine 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-(3,5-Dichlorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 2739207
5-((1E)-2-(4-Chlorophenyl)ethenyl)-3-methyl-4-nitroisoxazole
CID 833841
3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-amine
CID 2726373
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 5303800
5-[2-(4-Chlorophenyl)-3,3,3-trifluoroprop-1-enyl]-3-methyl-4-nitro-1,2-oxazole
CID 141443443
5-[(1E)-2-(3,5-Dichlorophenyl)ethenyl]-3-methyl-4-nitroisoxazole
CID 5703062
(E)-3-methyl-5-styrylisoxazol-4-amine
CID 11321586
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 11701727
5-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
CID 21786610
(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine
CID 42643240
5-Aminomethyl-3-(3,4-dichlorophenyl)isoxazole
CID 64156764
4-Amino-3-methyl-5-styrylisoxazole
CID 71365166

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The IUPAC name of 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine (CID 57361826) is 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine is Cc1onc(C=Cc2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
The InChIKey is GPHNXQBQFDYMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-12(15)11(16-17-7)5-3-8-2-4-9(13)10(14)6-8/h2-6H,15H2,1H3.
What are the key properties of 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine?
3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine has a molecular weight of 269.13 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenyl)ethenyl]-5-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 57361826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).