5-prop-2-enyl-1,3-oxazole

C6H7NO — CID 14362065

IUPAC5-prop-2-enyl-1,3-oxazole
SMILESC=CCc1cnco1
InChIInChI=1S/C6H7NO/c1-2-3-6-4-7-5-8-6/h2,4-5H,1,3H2
InChIKeyBLTXUCZRIHEWIG-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.40
Rot. Bonds2

About 5-prop-2-enyl-1,3-oxazole

5-prop-2-enyl-1,3-oxazole (PubChem CID 14362065) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-prop-2-enyl-1,3-oxazole.

Molecular Properties

Compound Name5-prop-2-enyl-1,3-oxazole
PubChem CID14362065
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-prop-2-enyl-1,3-oxazole
SMILESC=CCc1cnco1
InChIInChI=1S/C6H7NO/c1-2-3-6-4-7-5-8-6/h2,4-5H,1,3H2
InChIKeyBLTXUCZRIHEWIG-UHFFFAOYSA-N
XLogP1.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1,3-oxazole?
The IUPAC name of 5-prop-2-enyl-1,3-oxazole (CID 14362065) is 5-prop-2-enyl-1,3-oxazole.
What is the SMILES notation for 5-prop-2-enyl-1,3-oxazole?
The canonical SMILES for 5-prop-2-enyl-1,3-oxazole is C=CCc1cnco1.
What is the InChIKey of 5-prop-2-enyl-1,3-oxazole?
The InChIKey is BLTXUCZRIHEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-2-3-6-4-7-5-8-6/h2,4-5H,1,3H2.
What are the key properties of 5-prop-2-enyl-1,3-oxazole?
5-prop-2-enyl-1,3-oxazole has a molecular weight of 109.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1,3-oxazole is sourced from PubChem (CID 14362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).