(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine

C13H16N2O — CID 10910950

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)12(14)10(2)13-15-7-8-16-13/h3-6H,7-8,14H2,1-2H3/b12-10-
InChIKeyLFNZBZQOKMSJQG-BENRWUELSA-N
MW216.28 g/mol
LogP2.11
Rot. Bonds2

About (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine (PubChem CID 10910950) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine
PubChem CID10910950
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)12(14)10(2)13-15-7-8-16-13/h3-6H,7-8,14H2,1-2H3/b12-10-
InChIKeyLFNZBZQOKMSJQG-BENRWUELSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine 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

[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
(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
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]prop-1-en-1-amine
CID 10590786
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-(1-phenylethyl)prop-1-en-1-amine
CID 10828491
(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-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1-phenylethenamine
CID 139716124
ethyl 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carboximidate
CID 143937144
ethyl (E)-3-amino-2-iodo-3-phenylprop-2-enimidate
CID 143937174

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine (CID 10910950) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine is C/C(C1=NCCO1)=C(/N)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine?
The InChIKey is LFNZBZQOKMSJQG-BENRWUELSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)12(14)10(2)13-15-7-8-16-13/h3-6H,7-8,14H2,1-2H3/b12-10-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 10910950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).