3-(1-methoxypropan-2-yl)-1,2-oxazole

C7H11NO2 — CID 67274633

IUPAC3-(1-methoxypropan-2-yl)-1,2-oxazole
SMILESCOCC(C)c1ccon1
InChIInChI=1S/C7H11NO2/c1-6(5-9-2)7-3-4-10-8-7/h3-4,6H,5H2,1-2H3
InChIKeyHISMULMJPHQRDU-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.42
Rot. Bonds3

About 3-(1-methoxypropan-2-yl)-1,2-oxazole

3-(1-methoxypropan-2-yl)-1,2-oxazole (PubChem CID 67274633) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-methoxypropan-2-yl)-1,2-oxazole
PubChem CID67274633
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-(1-methoxypropan-2-yl)-1,2-oxazole
SMILESCOCC(C)c1ccon1
InChIInChI=1S/C7H11NO2/c1-6(5-9-2)7-3-4-10-8-7/h3-4,6H,5H2,1-2H3
InChIKeyHISMULMJPHQRDU-UHFFFAOYSA-N
XLogP1.42
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-methoxypropan-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 3-(1-methoxypropan-2-yl)-1,2-oxazole?
The IUPAC name of 3-(1-methoxypropan-2-yl)-1,2-oxazole (CID 67274633) is 3-(1-methoxypropan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1-methoxypropan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(1-methoxypropan-2-yl)-1,2-oxazole is COCC(C)c1ccon1.
What is the InChIKey of 3-(1-methoxypropan-2-yl)-1,2-oxazole?
The InChIKey is HISMULMJPHQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(5-9-2)7-3-4-10-8-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 3-(1-methoxypropan-2-yl)-1,2-oxazole?
3-(1-methoxypropan-2-yl)-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-yl)-1,2-oxazole is sourced from PubChem (CID 67274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).