4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole

C12H15NO — CID 10631508

IUPAC4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)c1
InChIInChI=1S/C12H15NO/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7H,8H2,1-3H3
InChIKeyFIBJUBYRVGDJIB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.55
Rot. Bonds1

About 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole

4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole (PubChem CID 10631508) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole
PubChem CID10631508
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole
SMILESCc1cccc(C2=NC(C)(C)CO2)c1
InChIInChI=1S/C12H15NO/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7H,8H2,1-3H3
InChIKeyFIBJUBYRVGDJIB-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole (CID 10631508) is 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole is Cc1cccc(C2=NC(C)(C)CO2)c1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole?
The InChIKey is FIBJUBYRVGDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7H,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylphenyl)-5H-1,3-oxazole is sourced from PubChem (CID 10631508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).