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

C10H7N3O — CID 2512364

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H7N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6H2
InChIKeySDGOZZSULWVMFC-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.80
Rot. Bonds2

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

2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile (PubChem CID 2512364) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile
PubChem CID2512364
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESN#CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H7N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6H2
InChIKeySDGOZZSULWVMFC-UHFFFAOYSA-N
XLogP1.80
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile (CID 2512364) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile is N#CCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The InChIKey is SDGOZZSULWVMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6H2.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetonitrile is sourced from PubChem (CID 2512364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).