3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole

C10H17NO — CID 45099333

IUPAC3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole
SMILESCc1noc(C)c1CCC(C)C
InChIInChI=1S/C10H17NO/c1-7(2)5-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3
InChIKeyDCERTATUPWSDGS-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.88
Rot. Bonds3

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

3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole (PubChem CID 45099333) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole
PubChem CID45099333
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole
SMILESCc1noc(C)c1CCC(C)C
InChIInChI=1S/C10H17NO/c1-7(2)5-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3
InChIKeyDCERTATUPWSDGS-UHFFFAOYSA-N
XLogP2.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-4-(3-methylbutyl)-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-(3-methylbutyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole (CID 45099333) is 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole is Cc1noc(C)c1CCC(C)C.
What is the InChIKey of 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole?
The InChIKey is DCERTATUPWSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)5-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole?
3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(3-methylbutyl)-1,2-oxazole is sourced from PubChem (CID 45099333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).