2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C16H27N3O2 — CID 116743165

IUPAC2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOC1(c2noc(C3(C)CCCC3N)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-15(9-7-8-12(15)17)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h12H,3-11,17H2,1-2H3
InChIKeyDCIORMBQAVSTES-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.03
Rot. Bonds3

About 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 116743165) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID116743165
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOC1(c2noc(C3(C)CCCC3N)n2)CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-15(9-7-8-12(15)17)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h12H,3-11,17H2,1-2H3
InChIKeyDCIORMBQAVSTES-UHFFFAOYSA-N
XLogP3.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116741632
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116742448
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
3-(1-methoxycycloheptyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116743183
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702810
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 116743165) is 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is COC1(c2noc(C3(C)CCCC3N)n2)CCCCCC1.
What is the InChIKey of 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is DCIORMBQAVSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(9-7-8-12(15)17)14-18-13(19-21-14)16(20-2)10-5-3-4-6-11-16/h12H,3-11,17H2,1-2H3.
What are the key properties of 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 116743165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).