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

C8H11NO2 — CID 45099074

IUPAC5-cyclopentyl-1,2-oxazol-3-one
SMILESO=c1cc(C2CCCC2)o[nH]1
InChIInChI=1S/C8H11NO2/c10-8-5-7(11-9-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyAEAAPUXEXIYKDG-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.63
Rot. Bonds1

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

5-cyclopentyl-1,2-oxazol-3-one (PubChem CID 45099074) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-cyclopentyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-1,2-oxazol-3-one
PubChem CID45099074
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name5-cyclopentyl-1,2-oxazol-3-one
SMILESO=c1cc(C2CCCC2)o[nH]1
InChIInChI=1S/C8H11NO2/c10-8-5-7(11-9-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyAEAAPUXEXIYKDG-UHFFFAOYSA-N
XLogP1.63
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1,2-oxazol-3-one?
The IUPAC name of 5-cyclopentyl-1,2-oxazol-3-one (CID 45099074) is 5-cyclopentyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-cyclopentyl-1,2-oxazol-3-one?
The canonical SMILES for 5-cyclopentyl-1,2-oxazol-3-one is O=c1cc(C2CCCC2)o[nH]1.
What is the InChIKey of 5-cyclopentyl-1,2-oxazol-3-one?
The InChIKey is AEAAPUXEXIYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-5-7(11-9-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of 5-cyclopentyl-1,2-oxazol-3-one?
5-cyclopentyl-1,2-oxazol-3-one has a molecular weight of 153.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,2-oxazol-3-one is sourced from PubChem (CID 45099074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).