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

C12H14N2O — CID 100953103

IUPAC(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3/b11-9-
InChIKeyHBTKJRVIFTVDCA-LUAWRHEFSA-N
MW202.26 g/mol
LogP1.80
Rot. Bonds2

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

(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine (PubChem CID 100953103) 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-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine
PubChem CID100953103
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine
SMILESC/C(C1=NCCO1)=C(/N)c1ccccc1
InChIInChI=1S/C12H14N2O/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3/b11-9-
InChIKeyHBTKJRVIFTVDCA-LUAWRHEFSA-N
XLogP1.80
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 ≤ 51.80
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
3-Ethoxy-4-methyl-1H-2-benzazepine
CID 15047405
(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
(Z)-2-(3,6-dihydro-2H-1,4-oxazin-5-yl)-1-phenylethenamine
CID 15933893

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine (CID 100953103) is (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine is C/C(C1=NCCO1)=C(/N)c1ccccc1.
What is the InChIKey of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine?
The InChIKey is HBTKJRVIFTVDCA-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(12-14-7-8-15-12)11(13)10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3/b11-9-.
What are the key properties of (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine?
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylprop-1-en-1-amine has a molecular weight of 202.26 g/mol, XLogP of 1.80, 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-phenylprop-1-en-1-amine is sourced from PubChem (CID 100953103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).