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

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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).