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

C11H18N2O2 — CID 166301466

IUPAC3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
SMILESCCCCCCn1c(C2CC2)noc1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-8-13-10(9-6-7-9)12-15-11(13)14/h9H,2-8H2,1H3
InChIKeyVPKONGVYJPXTGL-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.29
Rot. Bonds6

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

3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one (PubChem CID 166301466) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
PubChem CID166301466
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one
SMILESCCCCCCn1c(C2CC2)noc1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-4-5-8-13-10(9-6-7-9)12-15-11(13)14/h9H,2-8H2,1H3
InChIKeyVPKONGVYJPXTGL-UHFFFAOYSA-N
XLogP2.29
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-butyl-3-propyl-
CID 12317372
4-(Cyclohexylmethyl)-3-ethyl-1,2,4-oxadiazol-5-one
CID 142465624
1,2,4-Oxadiazol-5(4H)-one, 3-butyl-4-ethyl-
CID 12317365
1,2,4-Oxadiazol-5(4H)-one, 3-butyl-4-propyl-
CID 12317369
1,2,4-Oxadiazol-5(4H)-one, 3,4-dibutyl-
CID 12317373
3-Propan-2-yl-4-propyl-1,2,4-oxadiazol-5-one
CID 101546755
4-Ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 130621270
4-(Cyclopropylmethyl)-3-methyl-1,2,4-oxadiazol-5-one
CID 130637538
3-Cyclopropyl-4-(cyclopropylmethyl)-1,2,4-oxadiazol-5-one
CID 130674361
3-Cyclopropyl-4-(2-methylpropyl)-1,2,4-oxadiazol-5-one
CID 130677449
3-Cyclopropyl-4-ethyl-1,2,4-oxadiazol-5-one
CID 130703001
2-[3-(Cyclopropylmethyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetonitrile
CID 131224017

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one (CID 166301466) is 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one is CCCCCCn1c(C2CC2)noc1=O.
What is the InChIKey of 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one?
The InChIKey is VPKONGVYJPXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-4-5-8-13-10(9-6-7-9)12-15-11(13)14/h9H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one?
3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-hexyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 166301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).