3-propyl-5-pyridin-2-yl-1,2-oxazole

C11H12N2O — CID 89181281

IUPAC3-propyl-5-pyridin-2-yl-1,2-oxazole
SMILESCCCc1cc(-c2ccccn2)on1
InChIInChI=1S/C11H12N2O/c1-2-5-9-8-11(14-13-9)10-6-3-4-7-12-10/h3-4,6-8H,2,5H2,1H3
InChIKeyCHXJBUHBJSAJOA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.69
Rot. Bonds3

About 3-propyl-5-pyridin-2-yl-1,2-oxazole

3-propyl-5-pyridin-2-yl-1,2-oxazole (PubChem CID 89181281) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-propyl-5-pyridin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-propyl-5-pyridin-2-yl-1,2-oxazole
PubChem CID89181281
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-propyl-5-pyridin-2-yl-1,2-oxazole
SMILESCCCc1cc(-c2ccccn2)on1
InChIInChI=1S/C11H12N2O/c1-2-5-9-8-11(14-13-9)10-6-3-4-7-12-10/h3-4,6-8H,2,5H2,1H3
InChIKeyCHXJBUHBJSAJOA-UHFFFAOYSA-N
XLogP2.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-pyridin-2-yl-1,2-oxazole?
The IUPAC name of 3-propyl-5-pyridin-2-yl-1,2-oxazole (CID 89181281) is 3-propyl-5-pyridin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-propyl-5-pyridin-2-yl-1,2-oxazole?
The canonical SMILES for 3-propyl-5-pyridin-2-yl-1,2-oxazole is CCCc1cc(-c2ccccn2)on1.
What is the InChIKey of 3-propyl-5-pyridin-2-yl-1,2-oxazole?
The InChIKey is CHXJBUHBJSAJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-5-9-8-11(14-13-9)10-6-3-4-7-12-10/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 3-propyl-5-pyridin-2-yl-1,2-oxazole?
3-propyl-5-pyridin-2-yl-1,2-oxazole has a molecular weight of 188.23 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-pyridin-2-yl-1,2-oxazole is sourced from PubChem (CID 89181281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).