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

C11H10N4O — CID 62138664

IUPAC4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESCNCc1nnc(-c2ccc(C#N)cc2)o1
InChIInChI=1S/C11H10N4O/c1-13-7-10-14-15-11(16-10)9-4-2-8(6-12)3-5-9/h2-5,13H,7H2,1H3
InChIKeyFIOQNRLGEVMIDU-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.33
Rot. Bonds3

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

4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile (PubChem CID 62138664) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
PubChem CID62138664
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
SMILESCNCc1nnc(-c2ccc(C#N)cc2)o1
InChIInChI=1S/C11H10N4O/c1-13-7-10-14-15-11(16-10)9-4-2-8(6-12)3-5-9/h2-5,13H,7H2,1H3
InChIKeyFIOQNRLGEVMIDU-UHFFFAOYSA-N
XLogP1.33
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 103211960
4-[5-[3-(propan-2-ylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62136931
4-[5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 86781011
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138843
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106689586
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 90026926
4-[4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 55602325
1-[5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81284962
1-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62139034
4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 71850887

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile (CID 62138664) is 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile is CNCc1nnc(-c2ccc(C#N)cc2)o1.
What is the InChIKey of 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
The InChIKey is FIOQNRLGEVMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-13-7-10-14-15-11(16-10)9-4-2-8(6-12)3-5-9/h2-5,13H,7H2,1H3.
What are the key properties of 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile?
4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]benzonitrile is sourced from PubChem (CID 62138664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).