5-pent-1-enyl-1,3-oxazole

C8H11NO — CID 54528477

IUPAC5-pent-1-enyl-1,3-oxazole
SMILESCCCC=Cc1cnco1
InChIInChI=1S/C8H11NO/c1-2-3-4-5-8-6-9-7-10-8/h4-7H,2-3H2,1H3
InChIKeyYNRDNVFZSWGBHJ-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.49
Rot. Bonds3

About 5-pent-1-enyl-1,3-oxazole

5-pent-1-enyl-1,3-oxazole (PubChem CID 54528477) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-pent-1-enyl-1,3-oxazole.

Molecular Properties

Compound Name5-pent-1-enyl-1,3-oxazole
PubChem CID54528477
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-pent-1-enyl-1,3-oxazole
SMILESCCCC=Cc1cnco1
InChIInChI=1S/C8H11NO/c1-2-3-4-5-8-6-9-7-10-8/h4-7H,2-3H2,1H3
InChIKeyYNRDNVFZSWGBHJ-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pent-1-enyl-1,3-oxazole?
The IUPAC name of 5-pent-1-enyl-1,3-oxazole (CID 54528477) is 5-pent-1-enyl-1,3-oxazole.
What is the SMILES notation for 5-pent-1-enyl-1,3-oxazole?
The canonical SMILES for 5-pent-1-enyl-1,3-oxazole is CCCC=Cc1cnco1.
What is the InChIKey of 5-pent-1-enyl-1,3-oxazole?
The InChIKey is YNRDNVFZSWGBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-4-5-8-6-9-7-10-8/h4-7H,2-3H2,1H3.
What are the key properties of 5-pent-1-enyl-1,3-oxazole?
5-pent-1-enyl-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-1-enyl-1,3-oxazole is sourced from PubChem (CID 54528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).