4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole

C11H17NO — CID 90711742

IUPAC4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole
SMILESCc1nc(C=CCC(C)C)oc1C
InChIInChI=1S/C11H17NO/c1-8(2)6-5-7-11-12-9(3)10(4)13-11/h5,7-8H,6H2,1-4H3
InChIKeyOGKBOYVPAMKIQP-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.35
Rot. Bonds3

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

4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole (PubChem CID 90711742) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole
PubChem CID90711742
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole
SMILESCc1nc(C=CCC(C)C)oc1C
InChIInChI=1S/C11H17NO/c1-8(2)6-5-7-11-12-9(3)10(4)13-11/h5,7-8H,6H2,1-4H3
InChIKeyOGKBOYVPAMKIQP-UHFFFAOYSA-N
XLogP3.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethyl-2-(4-methylpent-1-enyl)-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 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole (CID 90711742) is 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole is Cc1nc(C=CCC(C)C)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole?
The InChIKey is OGKBOYVPAMKIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)6-5-7-11-12-9(3)10(4)13-11/h5,7-8H,6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole?
4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylpent-1-enyl)-1,3-oxazole is sourced from PubChem (CID 90711742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).