(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide

C18H16N2O2 — CID 102460927

IUPAC(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C18H16N2O2/c21-17(11-6-14-4-2-1-3-5-14)20-16-9-7-15(8-10-16)18-19-12-13-22-18/h1-11H,12-13H2,(H,20,21)/b11-6+
InChIKeyIHYLXWLOEOGXIE-IZZDOVSWSA-N
MW292.34 g/mol
LogP3.12
Rot. Bonds4

About (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 102460927) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID102460927
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C18H16N2O2/c21-17(11-6-14-4-2-1-3-5-14)20-16-9-7-15(8-10-16)18-19-12-13-22-18/h1-11H,12-13H2,(H,20,21)/b11-6+
InChIKeyIHYLXWLOEOGXIE-IZZDOVSWSA-N
XLogP3.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 122605301
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-3-phenylprop-2-enamide
CID 1364622
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-phenylprop-2-enamide
CID 28677648
(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 169441091
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide (CID 102460927) is (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(C2=NCCO2)cc1.
What is the InChIKey of (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is IHYLXWLOEOGXIE-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17(11-6-14-4-2-1-3-5-14)20-16-9-7-15(8-10-16)18-19-12-13-22-18/h1-11H,12-13H2,(H,20,21)/b11-6+.
What are the key properties of (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 102460927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).