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

C16H11N3O2 — CID 36994323

IUPAC2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H11N3O2/c17-9-13-4-1-2-5-14(13)10-20-15-7-3-6-12(8-15)16-19-18-11-21-16/h1-8,11H,10H2
InChIKeyXICMXKDAPYKMOC-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.19
Rot. Bonds4

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

2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile (PubChem CID 36994323) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
PubChem CID36994323
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1cccc(-c2nnco2)c1
InChIInChI=1S/C16H11N3O2/c17-9-13-4-1-2-5-14(13)10-20-15-7-3-6-12(8-15)16-19-18-11-21-16/h1-8,11H,10H2
InChIKeyXICMXKDAPYKMOC-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-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
3-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 17395288
3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
CID 39103106
2-[[3-(2-aminoethyl)phenoxy]methyl]benzonitrile
CID 54930897
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 56803777
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-chloro-4-[(2-cyanophenyl)methoxy]benzonitrile
CID 102674643
4-[3-[3-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 46044016
2-[(3,5-dichlorophenoxy)methyl]benzonitrile
CID 22688290
2-[(1-methylpyrazol-4-yl)oxymethyl]benzonitrile
CID 115753079
2-[[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576992

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile (CID 36994323) is 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile is N#Cc1ccccc1COc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
The InChIKey is XICMXKDAPYKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-9-13-4-1-2-5-14(13)10-20-15-7-3-6-12(8-15)16-19-18-11-21-16/h1-8,11H,10H2.
What are the key properties of 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile?
2-[[3-(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 2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 36994323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).