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

C16H11N3O2 — CID 17395288

IUPAC3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(-c3nnco3)cc2)c1
InChIInChI=1S/C16H11N3O2/c17-9-12-2-1-3-13(8-12)10-20-15-6-4-14(5-7-15)16-19-18-11-21-16/h1-8,11H,10H2
InChIKeyFUQNLUMJTOHQDL-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.19
Rot. Bonds4

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

3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile (PubChem CID 17395288) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
PubChem CID17395288
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(-c3nnco3)cc2)c1
InChIInChI=1S/C16H11N3O2/c17-9-12-2-1-3-13(8-12)10-20-15-6-4-14(5-7-15)16-19-18-11-21-16/h1-8,11H,10H2
InChIKeyFUQNLUMJTOHQDL-UHFFFAOYSA-N
XLogP3.19
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-phenylphenyl)methoxy]phenyl]-1,3,4-oxadiazole
CID 7680870
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7556052
2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 36994323
ethane;3-[[4-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
CID 167474314
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60802181

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The IUPAC name of 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile (CID 17395288) is 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile is N#Cc1cccc(COc2ccc(-c3nnco3)cc2)c1.
What is the InChIKey of 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The InChIKey is FUQNLUMJTOHQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-9-12-2-1-3-13(8-12)10-20-15-6-4-14(5-7-15)16-19-18-11-21-16/h1-8,11H,10H2.
What are the key properties of 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile has a molecular weight of 277.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 17395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).