2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine

C14H18N2O — CID 682847

IUPAC2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(C(N)=CC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H18N2O/c1-10-4-6-11(7-5-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3
InChIKeyNCLULDSBAVGWNZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds2

About 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine

2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine (PubChem CID 682847) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine.

Molecular Properties

Compound Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
PubChem CID682847
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(C(N)=CC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H18N2O/c1-10-4-6-11(7-5-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3
InChIKeyNCLULDSBAVGWNZ-UHFFFAOYSA-N
XLogP2.50
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

(1Z)-2-(4,4-dimethyl(1,3-oxazolin-2-yl))-1-(4-bromophenyl)vinylamine
CID 672209
[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
methyl (E)-2-amino-N-[1-(2-fluorophenyl)ethenyl]-3-methyl-5-propyloct-2-enimidate
CID 143824001
4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole
CID 11401644
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(3-methylphenyl)ethenamine
CID 101024184
2-[(E)-2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 67826165
2-[2-(4-ethenylphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 67826167
2-methyl-4-phenyl-6H-1,3-oxazine
CID 139384710
2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716124

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The IUPAC name of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine (CID 682847) is 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine.
What is the SMILES notation for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The canonical SMILES for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine is Cc1ccc(C(N)=CC2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The InChIKey is NCLULDSBAVGWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-6-11(7-5-10)12(15)8-13-16-14(2,3)9-17-13/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine has a molecular weight of 230.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine is sourced from PubChem (CID 682847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).