1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile

C14H14N6O — CID 86794622

IUPAC1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2noc(C3CCCCC3)n2)c1C#N
InChIInChI=1S/C14H14N6O/c15-6-11-12(7-16)20(9-17-11)8-13-18-14(21-19-13)10-4-2-1-3-5-10/h9-10H,1-5,8H2
InChIKeyOLZNOTRALQGNQZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.11
Rot. Bonds3

About 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile

1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 86794622) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID86794622
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2noc(C3CCCCC3)n2)c1C#N
InChIInChI=1S/C14H14N6O/c15-6-11-12(7-16)20(9-17-11)8-13-18-14(21-19-13)10-4-2-1-3-5-10/h9-10H,1-5,8H2
InChIKeyOLZNOTRALQGNQZ-UHFFFAOYSA-N
XLogP2.11
TPSA104.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595538
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
N-(4-cyanophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138284
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66398685
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methanamine
CID 62222657
7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 78961073
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]imidazole-4,5-dicarbonitrile
CID 112595404
5-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-one
CID 66309150
(3S)-4-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylmorpholine
CID 70777105
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595727

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile (CID 86794622) is 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2noc(C3CCCCC3)n2)c1C#N.
What is the InChIKey of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is OLZNOTRALQGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-6-11-12(7-16)20(9-17-11)8-13-18-14(21-19-13)10-4-2-1-3-5-10/h9-10H,1-5,8H2.
What are the key properties of 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile?
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 282.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 86794622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).