5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole

C12H18N2O2 — CID 157193841

IUPAC5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ccno1.CC(C)c1cnco1
InChIInChI=1S/2C6H9NO/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h2*3-5H,1-2H3
InChIKeyAPZXPAPOMAAQDV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.60
Rot. Bonds2

About 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole

5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (PubChem CID 157193841) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
PubChem CID157193841
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ccno1.CC(C)c1cnco1
InChIInChI=1S/2C6H9NO/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h2*3-5H,1-2H3
InChIKeyAPZXPAPOMAAQDV-UHFFFAOYSA-N
XLogP3.60
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-1,2-oxazole;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 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole (CID 157193841) is 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole is CC(C)c1ccno1.CC(C)c1cnco1.
What is the InChIKey of 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
The InChIKey is APZXPAPOMAAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h2*3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole?
5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole has a molecular weight of 222.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 157193841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).