5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole

C12H21NO — CID 58157942

IUPAC5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncoc1CC(C)(C)C
InChIInChI=1S/C12H21NO/c1-9(2)6-10-11(14-8-13-10)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyIMSAHVFDDXSWPI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.46
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole

5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole (PubChem CID 58157942) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole
PubChem CID58157942
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole
SMILESCC(C)Cc1ncoc1CC(C)(C)C
InChIInChI=1S/C12H21NO/c1-9(2)6-10-11(14-8-13-10)7-12(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyIMSAHVFDDXSWPI-UHFFFAOYSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-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 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole (CID 58157942) is 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole is CC(C)Cc1ncoc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole?
The InChIKey is IMSAHVFDDXSWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)6-10-11(14-8-13-10)7-12(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole?
5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-(2-methylpropyl)-1,3-oxazole is sourced from PubChem (CID 58157942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).