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

C14H20N2O2 — CID 107924454

IUPAC2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESCC1(C)CC1c1noc(CC2CCCCC2=O)n1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-10(14)13-15-12(18-16-13)7-9-5-3-4-6-11(9)17/h9-10H,3-8H2,1-2H3
InChIKeyBCYQEFSJYMLRLF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.88
Rot. Bonds3

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

2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (PubChem CID 107924454) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
PubChem CID107924454
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
SMILESCC1(C)CC1c1noc(CC2CCCCC2=O)n1
InChIInChI=1S/C14H20N2O2/c1-14(2)8-10(14)13-15-12(18-16-13)7-9-5-3-4-6-11(9)17/h9-10H,3-8H2,1-2H3
InChIKeyBCYQEFSJYMLRLF-UHFFFAOYSA-N
XLogP2.88
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482937
2-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482970
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-one
CID 106482898
2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482959
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482940
2-[[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106483053
2-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482965
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
2-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one
CID 106482954
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 107924618

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one (CID 107924454) is 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is CC1(C)CC1c1noc(CC2CCCCC2=O)n1.
What is the InChIKey of 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
The InChIKey is BCYQEFSJYMLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)8-10(14)13-15-12(18-16-13)7-9-5-3-4-6-11(9)17/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one?
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 107924454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).