3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole

C14H17NO — CID 58670338

IUPAC3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H17NO/c1-9(2)12-5-7-13(8-6-12)14-10(3)15-16-11(14)4/h5-9H,1-4H3
InChIKeyMOCTZDCCJAVBSA-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.08
Rot. Bonds2

About 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole

3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole (PubChem CID 58670338) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
PubChem CID58670338
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C14H17NO/c1-9(2)12-5-7-13(8-6-12)14-10(3)15-16-11(14)4/h5-9H,1-4H3
InChIKeyMOCTZDCCJAVBSA-UHFFFAOYSA-N
XLogP4.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-4-(4-propan-2-ylphenyl)-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 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole (CID 58670338) is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole is Cc1noc(C)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole?
The InChIKey is MOCTZDCCJAVBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)12-5-7-13(8-6-12)14-10(3)15-16-11(14)4/h5-9H,1-4H3.
What are the key properties of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole?
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole has a molecular weight of 215.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole is sourced from PubChem (CID 58670338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).