3-butyl-1,2-oxazole

C7H11NO — CID 21279276

IUPAC3-butyl-1,2-oxazole
SMILESCCCCc1ccon1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-5-6-9-8-7/h5-6H,2-4H2,1H3
InChIKeyABBVSNXAPJUUJO-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.02
Rot. Bonds3

About 3-butyl-1,2-oxazole

3-butyl-1,2-oxazole (PubChem CID 21279276) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-butyl-1,2-oxazole.

Molecular Properties

Compound Name3-butyl-1,2-oxazole
PubChem CID21279276
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-butyl-1,2-oxazole
SMILESCCCCc1ccon1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-5-6-9-8-7/h5-6H,2-4H2,1H3
InChIKeyABBVSNXAPJUUJO-UHFFFAOYSA-N
XLogP2.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2-oxazole?
The IUPAC name of 3-butyl-1,2-oxazole (CID 21279276) is 3-butyl-1,2-oxazole.
What is the SMILES notation for 3-butyl-1,2-oxazole?
The canonical SMILES for 3-butyl-1,2-oxazole is CCCCc1ccon1.
What is the InChIKey of 3-butyl-1,2-oxazole?
The InChIKey is ABBVSNXAPJUUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-7-5-6-9-8-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-butyl-1,2-oxazole?
3-butyl-1,2-oxazole has a molecular weight of 125.17 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2-oxazole is sourced from PubChem (CID 21279276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).