(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine

C13H14N2O — CID 79496015

IUPAC(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CNCc1ccon1
InChIInChI=1S/C13H14N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-8,10,14H,9,11H2/b7-4+
InChIKeyHJJJTWDSZBYBTO-QPJJXVBHSA-N
MW214.27 g/mol
LogP2.48
Rot. Bonds5

About (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine

(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 79496015) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID79496015
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CNCc1ccon1
InChIInChI=1S/C13H14N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-8,10,14H,9,11H2/b7-4+
InChIKeyHJJJTWDSZBYBTO-QPJJXVBHSA-N
XLogP2.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 5166148
(E)-3-phenyl-N-(pyridin-4-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 17292720
N-[(4-methylphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 4723953
(E)-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17292721
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940271
1-(1,2-oxazol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 81177965
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenylprop-2-en-1-amine
CID 76940192
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
(Z)-3-phenyl-N-(2-phenylethyl)prop-2-en-1-amine
CID 93072278
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126432973
(E)-N-(1-benzothiophen-4-ylmethyl)-3-phenylprop-2-en-1-amine
CID 24971884
(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17206556

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine (CID 79496015) is (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine is C(=C/c1ccccc1)\CNCc1ccon1.
What is the InChIKey of (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is HJJJTWDSZBYBTO-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-5-12(6-3-1)7-4-9-14-11-13-8-10-16-15-13/h1-8,10,14H,9,11H2/b7-4+.
What are the key properties of (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine?
(E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 214.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,2-oxazol-3-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 79496015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).