(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine

C12H12N2O — CID 13333694

IUPAC(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine
SMILESCc1cc(/C=C(\N)c2ccccc2)on1
InChIInChI=1S/C12H12N2O/c1-9-7-11(15-14-9)8-12(13)10-5-3-2-4-6-10/h2-8H,13H2,1H3/b12-8-
InChIKeyXCDGLLONROPNSK-WQLSENKSSA-N
MW200.24 g/mol
LogP2.44
Rot. Bonds2

About (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine

(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine (PubChem CID 13333694) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine
PubChem CID13333694
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine
SMILESCc1cc(/C=C(\N)c2ccccc2)on1
InChIInChI=1S/C12H12N2O/c1-9-7-11(15-14-9)8-12(13)10-5-3-2-4-6-10/h2-8H,13H2,1H3/b12-8-
InChIKeyXCDGLLONROPNSK-WQLSENKSSA-N
XLogP2.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine?
The IUPAC name of (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine (CID 13333694) is (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine.
What is the SMILES notation for (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine?
The canonical SMILES for (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine is Cc1cc(/C=C(\N)c2ccccc2)on1.
What is the InChIKey of (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine?
The InChIKey is XCDGLLONROPNSK-WQLSENKSSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-7-11(15-14-9)8-12(13)10-5-3-2-4-6-10/h2-8H,13H2,1H3/b12-8-.
What are the key properties of (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine?
(Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine has a molecular weight of 200.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-methyl-1,2-oxazol-5-yl)-1-phenylethenamine is sourced from PubChem (CID 13333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).