phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone

C19H19NO2 — CID 14642169

IUPACphenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
SMILESCc1cc(C)c(C2=NOCC2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-22-20-18)19(21)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3
InChIKeyYMRAGNKSCALUKX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.85
Rot. Bonds3

About phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone

phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone (PubChem CID 14642169) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
PubChem CID14642169
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namephenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
SMILESCc1cc(C)c(C2=NOCC2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H19NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-22-20-18)19(21)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3
InChIKeyYMRAGNKSCALUKX-UHFFFAOYSA-N
XLogP3.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tralkoxydim
CID 135492483
4-(1-(Ethoxyimino)propyl)-5-hydroxy-2',4',6'-trimethyl-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one
CID 135474890
Butroxydim
CID 135405255
5-(3-acetyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
CID 135998889
2-[(Z)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 135741327
1-(4-(3-Acetyl-2,4,6-trimethylphenyl)-2,6-cyclohexanedionyl)-O-ethyl propionaldehyde oxime
CID 44153207
2-(1-(Ethoxyimino)propyl)-3-hydroxy-5-(2,4,6-trimethyl-3-(1-oxobutyl)phenyl)-2-cyclohexen-1-one
CID 53941033
Butroxydim solution
CID 135797834
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
3-Phenyl-4-benzoyl-5-isoxazolone
CID 3656450
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-(trifluoromethyl)phenyl]-phenylmethanone
CID 71541514
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

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The IUPAC name of phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone (CID 14642169) is phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The canonical SMILES for phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone is Cc1cc(C)c(C2=NOCC2C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
The InChIKey is YMRAGNKSCALUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-9-13(2)17(14(3)10-12)18-16(11-22-20-18)19(21)15-7-5-4-6-8-15/h4-10,16H,11H2,1-3H3.
What are the key properties of phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone?
phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 14642169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).