2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile

C7H7N3O2 — CID 130658682

IUPAC2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile
SMILESN#CCn1c(C2CC2)noc1=O
InChIInChI=1S/C7H7N3O2/c8-3-4-10-6(5-1-2-5)9-12-7(10)11/h5H,1-2,4H2
InChIKeyPKAKODVKKGSKSB-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.24
Rot. Bonds2

About 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile

2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile (PubChem CID 130658682) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile
PubChem CID130658682
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile
SMILESN#CCn1c(C2CC2)noc1=O
InChIInChI=1S/C7H7N3O2/c8-3-4-10-6(5-1-2-5)9-12-7(10)11/h5H,1-2,4H2
InChIKeyPKAKODVKKGSKSB-UHFFFAOYSA-N
XLogP0.24
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile (CID 130658682) is 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile is N#CCn1c(C2CC2)noc1=O.
What is the InChIKey of 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile?
The InChIKey is PKAKODVKKGSKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-3-4-10-6(5-1-2-5)9-12-7(10)11/h5H,1-2,4H2.
What are the key properties of 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile?
2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile has a molecular weight of 165.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-oxo-1,2,4-oxadiazol-4-yl)acetonitrile is sourced from PubChem (CID 130658682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).