3-cyclopentyl-4H-1,2-oxazol-5-one

C8H11NO2 — CID 45099073

IUPAC3-cyclopentyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CCCC2)=NO1
InChIInChI=1S/C8H11NO2/c10-8-5-7(9-11-8)6-3-1-2-4-6/h6H,1-5H2
InChIKeyRPMYHJXYOXFQKQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.48
Rot. Bonds1

About 3-cyclopentyl-4H-1,2-oxazol-5-one

3-cyclopentyl-4H-1,2-oxazol-5-one (PubChem CID 45099073) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-cyclopentyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-cyclopentyl-4H-1,2-oxazol-5-one
PubChem CID45099073
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-cyclopentyl-4H-1,2-oxazol-5-one
SMILESO=C1CC(C2CCCC2)=NO1
InChIInChI=1S/C8H11NO2/c10-8-5-7(9-11-8)6-3-1-2-4-6/h6H,1-5H2
InChIKeyRPMYHJXYOXFQKQ-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methylbutyl)-4,5-dihydro-1,2-oxazol-5-one
CID 137648546
3-Cyclobutyl-4,5-dihydro-1,2-oxazol-5-one
CID 83845394
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
Oxocyclopentanoisoxazoline
CID 129796331
Ethyl [2-(hydroxyimino)cyclopentyl]acetate
CID 6393794
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid
CID 14215734
lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate
CID 23717149
3-cyclohexyl-4H-1,2-oxazol-5-one
CID 58226143
3-(cyclopentylmethyl)-4H-1,2-oxazol-5-one
CID 58226147
3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one
CID 58226154

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4H-1,2-oxazol-5-one?
The IUPAC name of 3-cyclopentyl-4H-1,2-oxazol-5-one (CID 45099073) is 3-cyclopentyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-cyclopentyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-cyclopentyl-4H-1,2-oxazol-5-one is O=C1CC(C2CCCC2)=NO1.
What is the InChIKey of 3-cyclopentyl-4H-1,2-oxazol-5-one?
The InChIKey is RPMYHJXYOXFQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-5-7(9-11-8)6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 3-cyclopentyl-4H-1,2-oxazol-5-one?
3-cyclopentyl-4H-1,2-oxazol-5-one has a molecular weight of 153.18 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4H-1,2-oxazol-5-one is sourced from PubChem (CID 45099073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).