3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one

C14H11NO3 — CID 177476940

IUPAC3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one
SMILESCC(=O)C1=NOC2(C1)C(=O)C=Cc1ccccc12
InChIInChI=1S/C14H11NO3/c1-9(16)12-8-14(18-15-12)11-5-3-2-4-10(11)6-7-13(14)17/h2-7H,8H2,1H3
InChIKeySGEHGYFEDFIBNP-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.84
Rot. Bonds1

About 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one

3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one (PubChem CID 177476940) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one.

Molecular Properties

Compound Name3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one
PubChem CID177476940
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one
SMILESCC(=O)C1=NOC2(C1)C(=O)C=Cc1ccccc12
InChIInChI=1S/C14H11NO3/c1-9(16)12-8-14(18-15-12)11-5-3-2-4-10(11)6-7-13(14)17/h2-7H,8H2,1H3
InChIKeySGEHGYFEDFIBNP-UHFFFAOYSA-N
XLogP1.84
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-acetyl-3'-methylspiro[naphthalene-1,2'-oxirane]-2-one
CID 603721
1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone
CID 144552599
1-methyl-1-trimethylsilyloxynaphthalen-2-one
CID 10800462
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid;ethyl acetate
CID 161249759
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
2-aminopropan-2-yl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 175392819
5-cyclohexa-1,5-dien-1-yl-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
CID 88992915
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
1-[(1'R,4'S)-2',2'-dimethylspiro[4H-1,2-oxazole-5,3'-bicyclo[2.2.1]heptane]-3-yl]ethanone
CID 51349801
methyl 2-oxo-1-(2-phenylprop-2-enyl)naphthalene-1-carboxylate
CID 135069375
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446

Frequently Asked Questions

What is the IUPAC name of 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one?
The IUPAC name of 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one (CID 177476940) is 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one.
What is the SMILES notation for 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one?
The canonical SMILES for 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one is CC(=O)C1=NOC2(C1)C(=O)C=Cc1ccccc12.
What is the InChIKey of 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one?
The InChIKey is SGEHGYFEDFIBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-9(16)12-8-14(18-15-12)11-5-3-2-4-10(11)6-7-13(14)17/h2-7H,8H2,1H3.
What are the key properties of 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one?
3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one has a molecular weight of 241.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one is sourced from PubChem (CID 177476940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).