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

C11H10N4O — CID 110651650

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
SMILESCc1nnc(CNc2ccccc2C#N)o1
InChIInChI=1S/C11H10N4O/c1-8-14-15-11(16-8)7-13-10-5-3-2-4-9(10)6-12/h2-5,13H,7H2,1H3
InChIKeyMKJUULKIRXBKLZ-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.86
Rot. Bonds3

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile (PubChem CID 110651650) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
PubChem CID110651650
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
SMILESCc1nnc(CNc2ccccc2C#N)o1
InChIInChI=1S/C11H10N4O/c1-8-14-15-11(16-8)7-13-10-5-3-2-4-9(10)6-12/h2-5,13H,7H2,1H3
InChIKeyMKJUULKIRXBKLZ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110651950
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106371995
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
2-[(3,5-dimethylphenyl)methylamino]benzonitrile
CID 54980162
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43433440
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzonitrile
CID 43762446
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
5-[(2-cyanoanilino)methyl]thiophene-2-carbonitrile
CID 113481571
4-iodo-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 103604764
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile (CID 110651650) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile is Cc1nnc(CNc2ccccc2C#N)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile?
The InChIKey is MKJUULKIRXBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-8-14-15-11(16-8)7-13-10-5-3-2-4-9(10)6-12/h2-5,13H,7H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 110651650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).