3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

C21H21NO2 — CID 10781905

IUPAC3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESCc1cc(C)c(C2=NOC3(CCc4ccccc4C3=O)C2)c(C)c1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)19(15(3)11-13)18-12-21(24-22-18)9-8-16-6-4-5-7-17(16)20(21)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyURQZLQDNEPATOL-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.30
Rot. Bonds1

About 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one

3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (PubChem CID 10781905) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.

Molecular Properties

Compound Name3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
PubChem CID10781905
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
SMILESCc1cc(C)c(C2=NOC3(CCc4ccccc4C3=O)C2)c(C)c1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)19(15(3)11-13)18-12-21(24-22-18)9-8-16-6-4-5-7-17(16)20(21)23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyURQZLQDNEPATOL-UHFFFAOYSA-N
XLogP4.30
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one with MolForge

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Related Compounds

1-[3-(2-fluoro-4-methylphenyl)-5-(5-methyl-5-propan-2-yl-4H-1,2-oxazol-3-yl)phenyl]-3-methylbutan-1-one
CID 58096042
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096198
3-[3-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-2-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 148430082
3-[4-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-3-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 158822746
4-tert-butyl-3',4'-bis(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one
CID 123261838
3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one
CID 139058270
[(8E)-8-methoxyimino-6,7-dihydro-5H-naphthalen-1-yl]-phenylmethanone
CID 139262529
3-(Naphthalene-2-carbonyl)-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-8-one
CID 162407376
3-(4-fluorophenyl)-2',3'-dimethyl-4-phenylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16103938
3,4-bis(4-fluorophenyl)-3'-methylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104371
3-(4-fluorophenyl)-3'-methyl-4-phenylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104372
3,4-bis(4-fluorophenyl)-2',3'-dimethylspiro[4H-1,2-oxazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 16104375

Frequently Asked Questions

What is the IUPAC name of 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The IUPAC name of 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one (CID 10781905) is 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one.
What is the SMILES notation for 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The canonical SMILES for 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is Cc1cc(C)c(C2=NOC3(CCc4ccccc4C3=O)C2)c(C)c1.
What is the InChIKey of 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
The InChIKey is URQZLQDNEPATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-10-14(2)19(15(3)11-13)18-12-21(24-22-18)9-8-16-6-4-5-7-17(16)20(21)23/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one?
3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one has a molecular weight of 319.40 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2,4,6-trimethylphenyl)spiro[3,4-dihydronaphthalene-2,5'-4H-1,2-oxazole]-1-one is sourced from PubChem (CID 10781905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).