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

C11H12N2O — CID 15421786

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESN/C(=C\C1=NCCO1)c1ccccc1
InChIInChI=1S/C11H12N2O/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2/b10-8-
InChIKeyKEPHIEKGAUOOBK-NTMALXAHSA-N
MW188.23 g/mol
LogP1.41
Rot. Bonds2

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

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine (PubChem CID 15421786) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
PubChem CID15421786
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine
SMILESN/C(=C\C1=NCCO1)c1ccccc1
InChIInChI=1S/C11H12N2O/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2/b10-8-
InChIKeyKEPHIEKGAUOOBK-NTMALXAHSA-N
XLogP1.41
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
(1Z)-2-(4,4-dimethyl(1,3-oxazolin-2-yl))-1-(4-bromophenyl)vinylamine
CID 672209
2-Styryl-4,5-dihydrooxazole
CID 54104859
[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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine (CID 15421786) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine is N/C(=C\C1=NCCO1)c1ccccc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
The InChIKey is KEPHIEKGAUOOBK-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12N2O/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2/b10-8-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenamine has a molecular weight of 188.23 g/mol, XLogP of 1.41, 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-phenylethenamine is sourced from PubChem (CID 15421786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).