2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile

C15H8ClN3O2 — CID 2740876

IUPAC2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H8ClN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
InChIKeyTWDDPZMYXHDCED-UHFFFAOYSA-N
MW297.70 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile

2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile (PubChem CID 2740876) has the molecular formula C15H8ClN3O2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
PubChem CID2740876
Molecular FormulaC15H8ClN3O2
Molecular Weight297.70 g/mol
Exact Mass297.03
IUPAC Name2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H8ClN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
InChIKeyTWDDPZMYXHDCED-UHFFFAOYSA-N
XLogP4.05
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile (CID 2740876) is 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile is N#Cc1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The InChIKey is TWDDPZMYXHDCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H.
What are the key properties of 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile has a molecular weight of 297.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile is sourced from PubChem (CID 2740876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).