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

C20H13NO2 — CID 2313510

IUPAC(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one
SMILESO=C1N=C(c2cccc3ccccc23)O/C1=C/c1ccccc1
InChIInChI=1S/C20H13NO2/c22-19-18(13-14-7-2-1-3-8-14)23-20(21-19)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyWVCOZJZIVMJOTH-QGOAFFKASA-N
MW299.33 g/mol
LogP4.18
Rot. Bonds2

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

(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one (PubChem CID 2313510) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one
PubChem CID2313510
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one
SMILESO=C1N=C(c2cccc3ccccc23)O/C1=C/c1ccccc1
InChIInChI=1S/C20H13NO2/c22-19-18(13-14-7-2-1-3-8-14)23-20(21-19)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyWVCOZJZIVMJOTH-QGOAFFKASA-N
XLogP4.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one?
The IUPAC name of (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one (CID 2313510) is (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one is O=C1N=C(c2cccc3ccccc23)O/C1=C/c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one?
The InChIKey is WVCOZJZIVMJOTH-QGOAFFKASA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-18(13-14-7-2-1-3-8-14)23-20(21-19)17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+.
What are the key properties of (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one?
(5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one has a molecular weight of 299.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-naphthalen-1-yl-1,3-oxazol-4-one is sourced from PubChem (CID 2313510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).