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

C14H9N5O — CID 106526421

IUPAC2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
SMILESN#CCc1ccccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C14H9N5O/c15-7-5-10-3-1-2-4-11(10)14-18-13(19-20-14)12-6-8-16-9-17-12/h1-4,6,8-9H,5H2
InChIKeyHYWMVFREBZCJRF-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.26
Rot. Bonds3

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

2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile (PubChem CID 106526421) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
PubChem CID106526421
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile
SMILESN#CCc1ccccc1-c1nc(-c2ccncn2)no1
InChIInChI=1S/C14H9N5O/c15-7-5-10-3-1-2-4-11(10)14-18-13(19-20-14)12-6-8-16-9-17-12/h1-4,6,8-9H,5H2
InChIKeyHYWMVFREBZCJRF-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile (CID 106526421) is 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile is N#CCc1ccccc1-c1nc(-c2ccncn2)no1.
What is the InChIKey of 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile?
The InChIKey is HYWMVFREBZCJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-7-5-10-3-1-2-4-11(10)14-18-13(19-20-14)12-6-8-16-9-17-12/h1-4,6,8-9H,5H2.
What are the key properties of 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile?
2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile has a molecular weight of 263.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]acetonitrile is sourced from PubChem (CID 106526421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).