2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole

C12H13NO — CID 141095214

IUPAC2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCc1ccc(-c2ncc(C)o2)c(C)c1
InChIInChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3
InChIKeySYIAGJNQUSPFSM-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.27
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole

2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole (PubChem CID 141095214) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
PubChem CID141095214
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
SMILESCc1ccc(-c2ncc(C)o2)c(C)c1
InChIInChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3
InChIKeySYIAGJNQUSPFSM-UHFFFAOYSA-N
XLogP3.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenyl)-5-methyl-1,3-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 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole (CID 141095214) is 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole is Cc1ccc(-c2ncc(C)o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
The InChIKey is SYIAGJNQUSPFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-4-5-11(9(2)6-8)12-13-7-10(3)14-12/h4-7H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole?
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 141095214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).