5-(2-propan-2-yloxyethyl)-1,3-oxazole

C8H13NO2 — CID 58170162

IUPAC5-(2-propan-2-yloxyethyl)-1,3-oxazole
SMILESCC(C)OCCc1cnco1
InChIInChI=1S/C8H13NO2/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7H,3-4H2,1-2H3
InChIKeyPLTARBWPZPNTLR-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.64
Rot. Bonds4

About 5-(2-propan-2-yloxyethyl)-1,3-oxazole

5-(2-propan-2-yloxyethyl)-1,3-oxazole (PubChem CID 58170162) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethyl)-1,3-oxazole
PubChem CID58170162
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-(2-propan-2-yloxyethyl)-1,3-oxazole
SMILESCC(C)OCCc1cnco1
InChIInChI=1S/C8H13NO2/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7H,3-4H2,1-2H3
InChIKeyPLTARBWPZPNTLR-UHFFFAOYSA-N
XLogP1.64
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-propan-2-yloxyethyl)-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 5-(2-propan-2-yloxyethyl)-1,3-oxazole?
The IUPAC name of 5-(2-propan-2-yloxyethyl)-1,3-oxazole (CID 58170162) is 5-(2-propan-2-yloxyethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-propan-2-yloxyethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-propan-2-yloxyethyl)-1,3-oxazole is CC(C)OCCc1cnco1.
What is the InChIKey of 5-(2-propan-2-yloxyethyl)-1,3-oxazole?
The InChIKey is PLTARBWPZPNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(2-propan-2-yloxyethyl)-1,3-oxazole?
5-(2-propan-2-yloxyethyl)-1,3-oxazole has a molecular weight of 155.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethyl)-1,3-oxazole is sourced from PubChem (CID 58170162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).