5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine

C12H10Cl2N2O — CID 11701727

IUPAC5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(/C=C/c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(15)11(17-16-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+
InChIKeyPEIRNLFIADOSGA-AATRIKPKSA-N
MW269.13 g/mol
LogP4.04
Rot. Bonds2

About 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine

5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine (PubChem CID 11701727) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
PubChem CID11701727
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCc1noc(/C=C/c2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C12H10Cl2N2O/c1-7-12(15)11(17-16-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+
InChIKeyPEIRNLFIADOSGA-AATRIKPKSA-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 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The IUPAC name of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine (CID 11701727) is 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine is Cc1noc(/C=C/c2c(Cl)cccc2Cl)c1N.
What is the InChIKey of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The InChIKey is PEIRNLFIADOSGA-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-12(15)11(17-16-7)6-5-8-9(13)3-2-4-10(8)14/h2-6H,15H2,1H3/b6-5+.
What are the key properties of 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-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 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 11701727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).