1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone

C18H25NO2 — CID 59878204

IUPAC1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)c(C)c(C2=NOC(C)(C)C2(C)C)c1C
InChIInChI=1S/C18H25NO2/c1-10-9-14(13(4)20)12(3)15(11(10)2)16-17(5,6)18(7,8)21-19-16/h9H,1-8H3
InChIKeyIQQKVSGEZLCYON-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.35
Rot. Bonds2

About 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone

1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone (PubChem CID 59878204) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone
PubChem CID59878204
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)c(C)c(C2=NOC(C)(C)C2(C)C)c1C
InChIInChI=1S/C18H25NO2/c1-10-9-14(13(4)20)12(3)15(11(10)2)16-17(5,6)18(7,8)21-19-16/h9H,1-8H3
InChIKeyIQQKVSGEZLCYON-UHFFFAOYSA-N
XLogP4.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butroxydim
CID 135405255
5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
CID 135998889
Butroxydim solution
CID 135797834
1-[3-(2-Fluoro-4-methylphenyl)-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenyl]-3-methylbutan-1-one
CID 58096033
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-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)phenyl]-3-methylbutan-1-one
CID 58096096
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
Fenoxydim
CID 135993077
3-[3-[4-[2-(2,6-Difluorophenyl)-2-oxoethyl]phenyl]-2-methylphenyl]-5,5-dimethyl-1,2-oxazol-4-one
CID 148430082
1-[2-methyl-5-[5-(trifluoromethyl)-5-[(E)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]-4H-1,2-oxazol-3-yl]phenyl]ethanone
CID 169611040
(5,5-dimethyl-4H-1,2-oxazol-3-yl)-phenylmethanone
CID 102359751
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-methylphenyl]-phenylmethanone
CID 164678999

Frequently Asked Questions

What is the IUPAC name of 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone?
The IUPAC name of 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone (CID 59878204) is 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone is CC(=O)c1cc(C)c(C)c(C2=NOC(C)(C)C2(C)C)c1C.
What is the InChIKey of 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone?
The InChIKey is IQQKVSGEZLCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-10-9-14(13(4)20)12(3)15(11(10)2)16-17(5,6)18(7,8)21-19-16/h9H,1-8H3.
What are the key properties of 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone?
1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone has a molecular weight of 287.40 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,5-trimethyl-3-(4,4,5,5-tetramethyl-1,2-oxazol-3-yl)phenyl]ethanone is sourced from PubChem (CID 59878204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).