2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole

C11H19NO — CID 59202167

IUPAC2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)CCc1ncc(C(C)C)o1
InChIInChI=1S/C11H19NO/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyMNDONZZGAYNDPB-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole

2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole (PubChem CID 59202167) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole
PubChem CID59202167
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole
SMILESCC(C)CCc1ncc(C(C)C)o1
InChIInChI=1S/C11H19NO/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyMNDONZZGAYNDPB-UHFFFAOYSA-N
XLogP3.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutyl)-5-propan-2-yl-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 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole (CID 59202167) is 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole is CC(C)CCc1ncc(C(C)C)o1.
What is the InChIKey of 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole?
The InChIKey is MNDONZZGAYNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole?
2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 59202167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).