(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine

C13H16N2O — CID 13326607

IUPAC(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESCC1(C)COC(/C=C(\N)c2ccccc2)=N1
InChIInChI=1S/C13H16N2O/c1-13(2)9-16-12(15-13)8-11(14)10-6-4-3-5-7-10/h3-8H,9,14H2,1-2H3/b11-8-
InChIKeyCZRQCAASTNITCO-FLIBITNWSA-N
MW216.28 g/mol
LogP2.19
Rot. Bonds2

About (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine

(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine (PubChem CID 13326607) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
PubChem CID13326607
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESCC1(C)COC(/C=C(\N)c2ccccc2)=N1
InChIInChI=1S/C13H16N2O/c1-13(2)9-16-12(15-13)8-11(14)10-6-4-3-5-7-10/h3-8H,9,14H2,1-2H3/b11-8-
InChIKeyCZRQCAASTNITCO-FLIBITNWSA-N
XLogP2.19
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine?
The IUPAC name of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine (CID 13326607) is (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine.
What is the SMILES notation for (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine?
The canonical SMILES for (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine is CC1(C)COC(/C=C(\N)c2ccccc2)=N1.
What is the InChIKey of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine?
The InChIKey is CZRQCAASTNITCO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2)9-16-12(15-13)8-11(14)10-6-4-3-5-7-10/h3-8H,9,14H2,1-2H3/b11-8-.
What are the key properties of (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine?
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine has a molecular weight of 216.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine is sourced from PubChem (CID 13326607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).