3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one

C7H10N2O2 — CID 130703001

IUPAC3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one
SMILESCCn1c(C2CC2)noc1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-6(5-3-4-5)8-11-7(9)10/h5H,2-4H2,1H3
InChIKeyOOPAKZRNDJTVPJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.73
Rot. Bonds2

About 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one

3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one (PubChem CID 130703001) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one
PubChem CID130703001
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one
SMILESCCn1c(C2CC2)noc1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-6(5-3-4-5)8-11-7(9)10/h5H,2-4H2,1H3
InChIKeyOOPAKZRNDJTVPJ-UHFFFAOYSA-N
XLogP0.73
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-methyl-
CID 12317370
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-ethyl-
CID 12317371
1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-propyl-
CID 12317372
1,2,4-Oxadiazol-5(4H)-one, 3-methyl-4-propyl-
CID 12317366
3,4-Di(propan-2-yl)-1,2,4-oxadiazol-5-one
CID 58578315
4-(2,2-Dimethylpropyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 59804106
4-Methyl-3-propan-2-yl-1,2,4-oxadiazol-5-one
CID 70644219
3-Cyclopropyl-4-methyl-1,2,4-oxadiazol-5-one
CID 127013072
4-Methyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 131157728
3-Butan-2-yl-4-methyl-1,2,4-oxadiazol-5-one
CID 155378122
1,2,4-Oxadiazol-5(4H)-one, 3,4-diethyl-
CID 12317363
1,2,4-Oxadiazol-5(4H)-one, 4-ethyl-3-propyl-
CID 12317364

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one (CID 130703001) is 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one is CCn1c(C2CC2)noc1=O.
What is the InChIKey of 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one?
The InChIKey is OOPAKZRNDJTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-9-6(5-3-4-5)8-11-7(9)10/h5H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one?
3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one has a molecular weight of 154.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 130703001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).