3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

C12H15NO — CID 902257

IUPAC3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)c(C2=NOCC2)c(C)c1
InChIInChI=1S/C12H15NO/c1-8-6-9(2)12(10(3)7-8)11-4-5-14-13-11/h6-7H,4-5H2,1-3H3
InChIKeyLFURGTJUFBIKNN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.74
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 902257) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID902257
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1cc(C)c(C2=NOCC2)c(C)c1
InChIInChI=1S/C12H15NO/c1-8-6-9(2)12(10(3)7-8)11-4-5-14-13-11/h6-7H,4-5H2,1-3H3
InChIKeyLFURGTJUFBIKNN-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 902257) is 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is Cc1cc(C)c(C2=NOCC2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LFURGTJUFBIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-6-9(2)12(10(3)7-8)11-4-5-14-13-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 902257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).