5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole

C8H15NO — CID 21336433

IUPAC5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-5-8(3,4)10-9-7/h6H,5H2,1-4H3
InChIKeyUBQMYFIWQLMVPD-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole

5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole (PubChem CID 21336433) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole
PubChem CID21336433
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-5-8(3,4)10-9-7/h6H,5H2,1-4H3
InChIKeyUBQMYFIWQLMVPD-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-3-propan-2-yl-4H-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 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole (CID 21336433) is 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole is CC(C)C1=NOC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole?
The InChIKey is UBQMYFIWQLMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-5-8(3,4)10-9-7/h6H,5H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole?
5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole is sourced from PubChem (CID 21336433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).