(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

C22H15NO2 — CID 794023

IUPAC(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C22H15NO2/c24-22-20(12-6-9-16-7-2-1-3-8-16)23-21(25-22)19-14-13-17-10-4-5-11-18(17)15-19/h1-15H/b9-6+,20-12+
InChIKeyLUORJDCMIDPXOZ-XCHVBMRISA-N
MW325.37 g/mol
LogP4.74
Rot. Bonds3

About (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one

(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (PubChem CID 794023) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
PubChem CID794023
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C/C=C/c1ccccc1
InChIInChI=1S/C22H15NO2/c24-22-20(12-6-9-16-7-2-1-3-8-16)23-21(25-22)19-14-13-17-10-4-5-11-18(17)15-19/h1-15H/b9-6+,20-12+
InChIKeyLUORJDCMIDPXOZ-XCHVBMRISA-N
XLogP4.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313248
(4Z)-2-(3-fluorophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6009501
4-[(3-fluorophenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 794034
(4Z)-2-(4-methoxy-3-nitrophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6511335
(4Z)-2-(4-heptoxyphenyl)-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6280196
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313256
(4Z)-2-naphthalen-2-yl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 19674503
(4Z)-2-naphthalen-2-yl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 19674817
(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199434
(4Z)-2-naphthalen-2-yl-4-[[4-(2-phenylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 19674861
(4Z)-2-naphthalen-2-yl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199460
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262

Frequently Asked Questions

What is the IUPAC name of (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one (CID 794023) is (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is O=C1OC(c2ccc3ccccc3c2)=N/C1=C/C=C/c1ccccc1.
What is the InChIKey of (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
The InChIKey is LUORJDCMIDPXOZ-XCHVBMRISA-N. The full InChI is InChI=1S/C22H15NO2/c24-22-20(12-6-9-16-7-2-1-3-8-16)23-21(25-22)19-14-13-17-10-4-5-11-18(17)15-19/h1-15H/b9-6+,20-12+.
What are the key properties of (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one?
(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one has a molecular weight of 325.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 794023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).