5-butyl-3-pyridin-4-yl-1,2-oxazole

C12H14N2O — CID 91710001

IUPAC5-butyl-3-pyridin-4-yl-1,2-oxazole
SMILESCCCCc1cc(-c2ccncc2)no1
InChIInChI=1S/C12H14N2O/c1-2-3-4-11-9-12(14-15-11)10-5-7-13-8-6-10/h5-9H,2-4H2,1H3
InChIKeyLHNHZFZSPCYHLF-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.08
Rot. Bonds4

About 5-butyl-3-pyridin-4-yl-1,2-oxazole

5-butyl-3-pyridin-4-yl-1,2-oxazole (PubChem CID 91710001) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-butyl-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-butyl-3-pyridin-4-yl-1,2-oxazole
PubChem CID91710001
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-butyl-3-pyridin-4-yl-1,2-oxazole
SMILESCCCCc1cc(-c2ccncc2)no1
InChIInChI=1S/C12H14N2O/c1-2-3-4-11-9-12(14-15-11)10-5-7-13-8-6-10/h5-9H,2-4H2,1H3
InChIKeyLHNHZFZSPCYHLF-UHFFFAOYSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-butyl-3-pyridin-4-yl-1,2-oxazole (CID 91710001) is 5-butyl-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-butyl-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-butyl-3-pyridin-4-yl-1,2-oxazole is CCCCc1cc(-c2ccncc2)no1.
What is the InChIKey of 5-butyl-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is LHNHZFZSPCYHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-3-4-11-9-12(14-15-11)10-5-7-13-8-6-10/h5-9H,2-4H2,1H3.
What are the key properties of 5-butyl-3-pyridin-4-yl-1,2-oxazole?
5-butyl-3-pyridin-4-yl-1,2-oxazole has a molecular weight of 202.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 91710001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).