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

C11H10N6O — CID 112595538

IUPAC1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCC(C)c1noc(Cn2cnc(C#N)c2C#N)n1
InChIInChI=1S/C11H10N6O/c1-7(2)11-15-10(18-16-11)5-17-6-14-8(3-12)9(17)4-13/h6-7H,5H2,1-2H3
InChIKeyXWPVDJJDIQSJTI-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.18
Rot. Bonds3

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

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595538) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
PubChem CID112595538
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
SMILESCC(C)c1noc(Cn2cnc(C#N)c2C#N)n1
InChIInChI=1S/C11H10N6O/c1-7(2)11-15-10(18-16-11)5-17-6-14-8(3-12)9(17)4-13/h6-7H,5H2,1-2H3
InChIKeyXWPVDJJDIQSJTI-UHFFFAOYSA-N
XLogP1.18
TPSA104.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 75499870
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 78961293
4-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43048630
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804
1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazole-4,5-dicarbonitrile
CID 112595676
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
CID 86794622
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36638093

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile (CID 112595538) is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile is CC(C)c1noc(Cn2cnc(C#N)c2C#N)n1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is XWPVDJJDIQSJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-7(2)11-15-10(18-16-11)5-17-6-14-8(3-12)9(17)4-13/h6-7H,5H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile?
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).