3-but-1-enyl-1,2-oxazole

C7H9NO — CID 174758223

IUPAC3-but-1-enyl-1,2-oxazole
SMILESCCC=Cc1ccon1
InChIInChI=1S/C7H9NO/c1-2-3-4-7-5-6-9-8-7/h3-6H,2H2,1H3
InChIKeyXWDNZMVDGAZABH-UHFFFAOYSA-N
MW123.15 g/mol
LogP2.10
Rot. Bonds2

About 3-but-1-enyl-1,2-oxazole

3-but-1-enyl-1,2-oxazole (PubChem CID 174758223) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-but-1-enyl-1,2-oxazole.

Molecular Properties

Compound Name3-but-1-enyl-1,2-oxazole
PubChem CID174758223
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-but-1-enyl-1,2-oxazole
SMILESCCC=Cc1ccon1
InChIInChI=1S/C7H9NO/c1-2-3-4-7-5-6-9-8-7/h3-6H,2H2,1H3
InChIKeyXWDNZMVDGAZABH-UHFFFAOYSA-N
XLogP2.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-1,2-oxazole?
The IUPAC name of 3-but-1-enyl-1,2-oxazole (CID 174758223) is 3-but-1-enyl-1,2-oxazole.
What is the SMILES notation for 3-but-1-enyl-1,2-oxazole?
The canonical SMILES for 3-but-1-enyl-1,2-oxazole is CCC=Cc1ccon1.
What is the InChIKey of 3-but-1-enyl-1,2-oxazole?
The InChIKey is XWDNZMVDGAZABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-3-4-7-5-6-9-8-7/h3-6H,2H2,1H3.
What are the key properties of 3-but-1-enyl-1,2-oxazole?
3-but-1-enyl-1,2-oxazole has a molecular weight of 123.15 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-1,2-oxazole is sourced from PubChem (CID 174758223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).