5-butyl-1,3-oxazole

C7H11NO — CID 18000835

IUPAC5-butyl-1,3-oxazole
SMILESCCCCc1cnco1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3
InChIKeyHVDQDMRCRULNJN-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.02
Rot. Bonds3

About 5-butyl-1,3-oxazole

5-butyl-1,3-oxazole (PubChem CID 18000835) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-butyl-1,3-oxazole.

Molecular Properties

Compound Name5-butyl-1,3-oxazole
PubChem CID18000835
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-butyl-1,3-oxazole
SMILESCCCCc1cnco1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3
InChIKeyHVDQDMRCRULNJN-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 5-butyl-1,3-oxazole?
The IUPAC name of 5-butyl-1,3-oxazole (CID 18000835) is 5-butyl-1,3-oxazole.
What is the SMILES notation for 5-butyl-1,3-oxazole?
The canonical SMILES for 5-butyl-1,3-oxazole is CCCCc1cnco1.
What is the InChIKey of 5-butyl-1,3-oxazole?
The InChIKey is HVDQDMRCRULNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-7-5-8-6-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-butyl-1,3-oxazole?
5-butyl-1,3-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 5-butyl-1,3-oxazole is sourced from PubChem (CID 18000835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).