(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine

C12H14N2O — CID 15421787

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(/C(N)=C/C2=NCCO2)cc1
InChIInChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-5,8H,6-7,13H2,1H3/b11-8-
InChIKeyPDHLZGURPSFEBD-FLIBITNWSA-N
MW202.26 g/mol
LogP1.72
Rot. Bonds2

About (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine (PubChem CID 15421787) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
PubChem CID15421787
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine
SMILESCc1ccc(/C(N)=C/C2=NCCO2)cc1
InChIInChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-5,8H,6-7,13H2,1H3/b11-8-
InChIKeyPDHLZGURPSFEBD-FLIBITNWSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-(m-Aminostyryl)-2-oxazoline
CID 6474157
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(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
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 102061813
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-(1-phenylethyl)ethenamine
CID 10637407
N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
CID 10730783
(Z)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-phenylethenamine
CID 13326607

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine (CID 15421787) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine is Cc1ccc(/C(N)=C/C2=NCCO2)cc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
The InChIKey is PDHLZGURPSFEBD-FLIBITNWSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-5,8H,6-7,13H2,1H3/b11-8-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)ethenamine has a molecular weight of 202.26 g/mol, XLogP of 1.72, 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)ethenamine is sourced from PubChem (CID 15421787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).