2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

C16H11N3O2 — CID 2714605

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11N3O2/c17-10-13-8-4-5-9-14(13)20-11-15-18-19-16(21-15)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyOUCQBRLDIMPANY-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.19
Rot. Bonds4

About 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (PubChem CID 2714605) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
PubChem CID2714605
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11N3O2/c17-10-13-8-4-5-9-14(13)20-11-15-18-19-16(21-15)12-6-2-1-3-7-12/h1-9H,11H2
InChIKeyOUCQBRLDIMPANY-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-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-(2-cyanophenoxy)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7433407
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxyimino]propanedinitrile
CID 155067987
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 27919131
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(4-methoxy-2-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 7680960
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 63296898
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 46531300
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzonitrile
CID 31681304

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile (CID 2714605) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is N#Cc1ccccc1OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
The InChIKey is OUCQBRLDIMPANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-10-13-8-4-5-9-14(13)20-11-15-18-19-16(21-15)12-6-2-1-3-7-12/h1-9H,11H2.
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]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-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 2714605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).