(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one

C20H13NO2 — CID 9313248

IUPAC(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1
InChIInChI=1S/C20H13NO2/c22-20-18(12-14-6-2-1-3-7-14)21-19(23-20)17-11-10-15-8-4-5-9-16(15)13-17/h1-13H/b18-12-
InChIKeyCOWDBHNVZSLMRQ-PDGQHHTCSA-N
MW299.33 g/mol
LogP4.18
Rot. Bonds2

About (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one

(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one (PubChem CID 9313248) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
PubChem CID9313248
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1
InChIInChI=1S/C20H13NO2/c22-20-18(12-14-6-2-1-3-7-14)21-19(23-20)17-11-10-15-8-4-5-9-16(15)13-17/h1-13H/b18-12-
InChIKeyCOWDBHNVZSLMRQ-PDGQHHTCSA-N
XLogP4.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.18
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-[(4-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313256
4-[(3-fluorophenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 794034
(4Z)-2-naphthalen-2-yl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 19674817
(4E)-2-naphthalen-2-yl-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 794023
(4Z)-2-naphthalen-2-yl-4-[(4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199460
(4Z)-2-naphthalen-2-yl-4-[[4-(2-phenylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 19674861
(4Z)-2-naphthalen-2-yl-4-[(3-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199434
(4Z)-2-naphthalen-2-yl-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 19674503
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649
(4Z)-2-(4-tert-butylphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 5286052
(4E)-2-(1,3-benzodioxol-5-yl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 754025

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one (CID 9313248) is (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one is O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one?
The InChIKey is COWDBHNVZSLMRQ-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H13NO2/c22-20-18(12-14-6-2-1-3-7-14)21-19(23-20)17-11-10-15-8-4-5-9-16(15)13-17/h1-13H/b18-12-.
What are the key properties of (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one?
(4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one has a molecular weight of 299.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-2-naphthalen-2-yl-1,3-oxazol-5-one is sourced from PubChem (CID 9313248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).