2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile

C7H10N4O — CID 59977619

IUPAC2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
SMILESCN(C)Cc1nnc(CC#N)o1
InChIInChI=1S/C7H10N4O/c1-11(2)5-7-10-9-6(12-7)3-4-8/h3,5H2,1-2H3
InChIKeyQJTGADYIXWSYQS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.20
Rot. Bonds3

About 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile

2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile (PubChem CID 59977619) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
PubChem CID59977619
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile
SMILESCN(C)Cc1nnc(CC#N)o1
InChIInChI=1S/C7H10N4O/c1-11(2)5-7-10-9-6(12-7)3-4-8/h3,5H2,1-2H3
InChIKeyQJTGADYIXWSYQS-UHFFFAOYSA-N
XLogP0.20
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylethanamine
CID 51078454
1-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylmethanamine
CID 131089054
1-(5-Ethyl-1,3,4-oxadiazol-2-YL)-N-methylmethanamine
CID 28063876
N-ethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 57940561
(1S)-1-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 82668342
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine
CID 89027363
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylmethanamine
CID 89036722
Dimethyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
CID 121257411
1-[5-[(Dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 130142088
N,N-dimethyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;ethane
CID 145130638
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 146793469
N,N-dimethyl-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 172528575

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile (CID 59977619) is 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile is CN(C)Cc1nnc(CC#N)o1.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
The InChIKey is QJTGADYIXWSYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11(2)5-7-10-9-6(12-7)3-4-8/h3,5H2,1-2H3.
What are the key properties of 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile?
2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile has a molecular weight of 166.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]acetonitrile is sourced from PubChem (CID 59977619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).