4-(3-methylbutan-2-yl)-1,2-oxazole

C8H13NO — CID 146230440

IUPAC4-(3-methylbutan-2-yl)-1,2-oxazole
SMILESCC(C)C(C)c1cnoc1
InChIInChI=1S/C8H13NO/c1-6(2)7(3)8-4-9-10-5-8/h4-7H,1-3H3
InChIKeyHFWHTUSAEALCAT-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.43
Rot. Bonds2

About 4-(3-methylbutan-2-yl)-1,2-oxazole

4-(3-methylbutan-2-yl)-1,2-oxazole (PubChem CID 146230440) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-1,2-oxazole
PubChem CID146230440
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-(3-methylbutan-2-yl)-1,2-oxazole
SMILESCC(C)C(C)c1cnoc1
InChIInChI=1S/C8H13NO/c1-6(2)7(3)8-4-9-10-5-8/h4-7H,1-3H3
InChIKeyHFWHTUSAEALCAT-UHFFFAOYSA-N
XLogP2.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylbutan-2-yl)-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 4-(3-methylbutan-2-yl)-1,2-oxazole?
The IUPAC name of 4-(3-methylbutan-2-yl)-1,2-oxazole (CID 146230440) is 4-(3-methylbutan-2-yl)-1,2-oxazole.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-1,2-oxazole?
The canonical SMILES for 4-(3-methylbutan-2-yl)-1,2-oxazole is CC(C)C(C)c1cnoc1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-1,2-oxazole?
The InChIKey is HFWHTUSAEALCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)7(3)8-4-9-10-5-8/h4-7H,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)-1,2-oxazole?
4-(3-methylbutan-2-yl)-1,2-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-1,2-oxazole is sourced from PubChem (CID 146230440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).