2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one

C14H20N2O3 — CID 106482970

IUPAC2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1nc(C2CCCOC2)no1
InChIInChI=1S/C14H20N2O3/c17-12-6-2-1-4-10(12)8-13-15-14(16-19-13)11-5-3-7-18-9-11/h10-11H,1-9H2
InChIKeyANZGHQJRVOYZBI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.27
Rot. Bonds3

About 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one

2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (PubChem CID 106482970) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
PubChem CID106482970
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1Cc1nc(C2CCCOC2)no1
InChIInChI=1S/C14H20N2O3/c17-12-6-2-1-4-10(12)8-13-15-14(16-19-13)11-5-3-7-18-9-11/h10-11H,1-9H2
InChIKeyANZGHQJRVOYZBI-UHFFFAOYSA-N
XLogP2.27
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482937
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 107924454
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65333430
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
CID 80575396
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-one
CID 106482898
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483485
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524881
5-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 65332109
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (CID 106482970) is 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is O=C1CCCCC1Cc1nc(C2CCCOC2)no1.
What is the InChIKey of 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The InChIKey is ANZGHQJRVOYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-12-6-2-1-4-10(12)8-13-15-14(16-19-13)11-5-3-7-18-9-11/h10-11H,1-9H2.
What are the key properties of 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one has a molecular weight of 264.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 106482970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).