3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C15H25N3O2 — CID 116742445

IUPAC3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOC1(c2noc(C3CCC(N)C3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O2/c1-10-5-7-15(19-2,8-6-10)14-17-13(20-18-14)11-3-4-12(16)9-11/h10-12H,3-9,16H2,1-2H3
InChIKeyKPCGIFKUAOPFHI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.72
Rot. Bonds3

About 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 116742445) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID116742445
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCOC1(c2noc(C3CCC(N)C3)n2)CCC(C)CC1
InChIInChI=1S/C15H25N3O2/c1-10-5-7-15(19-2,8-6-10)14-17-13(20-18-14)11-3-4-12(16)9-11/h10-12H,3-9,16H2,1-2H3
InChIKeyKPCGIFKUAOPFHI-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine with MolForge

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Related Compounds

cis-(1S,3R)-3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173552
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116743162
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116743243
3-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742867
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
cis-(1S,3R)-3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323609
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
3-(1-methoxy-4-methylcyclohexyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742483
3-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552140
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780395
3-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 116742445) is 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is COC1(c2noc(C3CCC(N)C3)n2)CCC(C)CC1.
What is the InChIKey of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is KPCGIFKUAOPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-5-7-15(19-2,8-6-10)14-17-13(20-18-14)11-3-4-12(16)9-11/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 116742445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).