3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile

C14H21N3O2 — CID 106527287

IUPAC3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
SMILESCOC(c1noc(CC(C)C#N)n1)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-10(9-15)8-12-16-14(17-19-12)13(18-2)11-6-4-3-5-7-11/h10-11,13H,3-8H2,1-2H3
InChIKeyNGKFVHZSAFYHRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.04
Rot. Bonds5

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

3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile (PubChem CID 106527287) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
PubChem CID106527287
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
SMILESCOC(c1noc(CC(C)C#N)n1)C1CCCCC1
InChIInChI=1S/C14H21N3O2/c1-10(9-15)8-12-16-14(17-19-12)13(18-2)11-6-4-3-5-7-11/h10-11,13H,3-8H2,1-2H3
InChIKeyNGKFVHZSAFYHRC-UHFFFAOYSA-N
XLogP3.04
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile (CID 106527287) is 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile is COC(c1noc(CC(C)C#N)n1)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
The InChIKey is NGKFVHZSAFYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(9-15)8-12-16-14(17-19-12)13(18-2)11-6-4-3-5-7-11/h10-11,13H,3-8H2,1-2H3.
What are the key properties of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile?
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile has a molecular weight of 263.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile is sourced from PubChem (CID 106527287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).