2-but-2-enyl-4,5-dihydro-1,3-oxazole

C7H11NO — CID 66859597

IUPAC2-but-2-enyl-4,5-dihydro-1,3-oxazole
SMILESCC=CCC1=NCCO1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3
InChIKeyXUAHRUIJBNRZGN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.38
Rot. Bonds2

About 2-but-2-enyl-4,5-dihydro-1,3-oxazole

2-but-2-enyl-4,5-dihydro-1,3-oxazole (PubChem CID 66859597) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-but-2-enyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-but-2-enyl-4,5-dihydro-1,3-oxazole
PubChem CID66859597
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-but-2-enyl-4,5-dihydro-1,3-oxazole
SMILESCC=CCC1=NCCO1
InChIInChI=1S/C7H11NO/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3
InChIKeyXUAHRUIJBNRZGN-UHFFFAOYSA-N
XLogP1.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.38
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 2-but-2-enyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-but-2-enyl-4,5-dihydro-1,3-oxazole (CID 66859597) is 2-but-2-enyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-but-2-enyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-but-2-enyl-4,5-dihydro-1,3-oxazole is CC=CCC1=NCCO1.
What is the InChIKey of 2-but-2-enyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XUAHRUIJBNRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3.
What are the key properties of 2-but-2-enyl-4,5-dihydro-1,3-oxazole?
2-but-2-enyl-4,5-dihydro-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 66859597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).