(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine

C12H11ClN2O — CID 42643240

IUPAC(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine
SMILESCc1cc(/C=C(\N)c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H11ClN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-7H,14H2,1H3/b12-7-
InChIKeyGHBGVRIYAJRAGL-GHXNOFRVSA-N
MW234.69 g/mol
LogP3.09
Rot. Bonds2

About (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine

(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine (PubChem CID 42643240) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine
PubChem CID42643240
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine
SMILESCc1cc(/C=C(\N)c2ccc(Cl)cc2)on1
InChIInChI=1S/C12H11ClN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-7H,14H2,1H3/b12-7-
InChIKeyGHBGVRIYAJRAGL-GHXNOFRVSA-N
XLogP3.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine (CID 42643240) is (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine is Cc1cc(/C=C(\N)c2ccc(Cl)cc2)on1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine?
The InChIKey is GHBGVRIYAJRAGL-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-6-11(16-15-8)7-12(14)9-2-4-10(13)5-3-9/h2-7H,14H2,1H3/b12-7-.
What are the key properties of (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine?
(Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine has a molecular weight of 234.69 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethenamine is sourced from PubChem (CID 42643240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).