3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one

C8H11NO2 — CID 45099055

IUPAC3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one
SMILESCCC1(C2=NOC(=O)C2)CC1
InChIInChI=1S/C8H11NO2/c1-2-8(3-4-8)6-5-7(10)11-9-6/h2-5H2,1H3
InChIKeyANHXKRMLNWOOBN-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.48
Rot. Bonds2

About 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one

3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one (PubChem CID 45099055) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one
PubChem CID45099055
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one
SMILESCCC1(C2=NOC(=O)C2)CC1
InChIInChI=1S/C8H11NO2/c1-2-8(3-4-8)6-5-7(10)11-9-6/h2-5H2,1H3
InChIKeyANHXKRMLNWOOBN-UHFFFAOYSA-N
XLogP1.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-Cyclopropyl-4,5-dihydro-1,2-oxazol-5-one
CID 11040700
3-(3-methylpentan-3-yl)-4H-1,2-oxazol-5-one
CID 11030252
3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-one
CID 4669289
3-cyclopropyl-4-methyl-4H-1,2-oxazol-5-one
CID 83845395
3-(3,3-dimethylbutyl)-4H-1,2-oxazol-5-one
CID 89777317
Ethyl 2-methoxyimino-1-methylcyclopentane-1-carboxylate
CID 92009830
4-(cyclopropylmethyl)-3-methyl-4H-1,2-oxazol-5-one
CID 139408537
methyl 1-(N-methoxy-C-methylcarbonimidoyl)cyclopentane-1-carboxylate
CID 140078911
Lithium 2-methoxyimino-1-methylcyclopentane-1-carboxylate
CID 140078930
3-Tert-butyl-4,4-dimethyl-1,2-oxazol-5-one
CID 164091639
3-tert-butyl-4-methyl-4H-1,2-oxazol-5-one
CID 10397039
ethyl (2E)-2-hydroxyimino-1-methylcyclopentane-1-carboxylate
CID 10976188

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one (CID 45099055) is 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one is CCC1(C2=NOC(=O)C2)CC1.
What is the InChIKey of 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one?
The InChIKey is ANHXKRMLNWOOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8(3-4-8)6-5-7(10)11-9-6/h2-5H2,1H3.
What are the key properties of 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one?
3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one has a molecular weight of 153.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylcyclopropyl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 45099055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).