5-pentyl-1,2-oxazol-3-one

C8H13NO2 — CID 67147275

IUPAC5-pentyl-1,2-oxazol-3-one
SMILESCCCCCc1cc(=O)[nH]o1
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-7-6-8(10)9-11-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPUGSMCKCYYQJJQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.70
Rot. Bonds4

About 5-pentyl-1,2-oxazol-3-one

5-pentyl-1,2-oxazol-3-one (PubChem CID 67147275) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-pentyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-pentyl-1,2-oxazol-3-one
PubChem CID67147275
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-pentyl-1,2-oxazol-3-one
SMILESCCCCCc1cc(=O)[nH]o1
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-7-6-8(10)9-11-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPUGSMCKCYYQJJQ-UHFFFAOYSA-N
XLogP1.70
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1,2-oxazol-3-one?
The IUPAC name of 5-pentyl-1,2-oxazol-3-one (CID 67147275) is 5-pentyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-pentyl-1,2-oxazol-3-one?
The canonical SMILES for 5-pentyl-1,2-oxazol-3-one is CCCCCc1cc(=O)[nH]o1.
What is the InChIKey of 5-pentyl-1,2-oxazol-3-one?
The InChIKey is PUGSMCKCYYQJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-5-7-6-8(10)9-11-7/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-pentyl-1,2-oxazol-3-one?
5-pentyl-1,2-oxazol-3-one has a molecular weight of 155.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1,2-oxazol-3-one is sourced from PubChem (CID 67147275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).