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

C16H27N3O2 — CID 116742448

IUPAC2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOC1(c2noc(C3(C)CCCC3N)n2)CCC(C)CC1
InChIInChI=1S/C16H27N3O2/c1-11-6-9-16(20-3,10-7-11)13-18-14(21-19-13)15(2)8-4-5-12(15)17/h11-12H,4-10,17H2,1-3H3
InChIKeyVFBLSKVGSDNEOD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds3

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

2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 116742448) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID116742448
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCOC1(c2noc(C3(C)CCCC3N)n2)CCC(C)CC1
InChIInChI=1S/C16H27N3O2/c1-11-6-9-16(20-3,10-7-11)13-18-14(21-19-13)15(2)8-4-5-12(15)17/h11-12H,4-10,17H2,1-3H3
InChIKeyVFBLSKVGSDNEOD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116743165
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
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116742455
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82762266
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
5-(3-ethylpyrrolidin-3-yl)-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742440
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116742504
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
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-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 116742448) is 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is COC1(c2noc(C3(C)CCCC3N)n2)CCC(C)CC1.
What is the InChIKey of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is VFBLSKVGSDNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-6-9-16(20-3,10-7-11)13-18-14(21-19-13)15(2)8-4-5-12(15)17/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 116742448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).