3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine

C10H17N3O2 — CID 116742455

IUPAC3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(N)n2)CCC(C)CC1
InChIInChI=1S/C10H17N3O2/c1-7-3-5-10(14-2,6-4-7)8-12-9(11)15-13-8/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyBJKIKMMVYPSLRW-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.70
Rot. Bonds2

About 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine

3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine (PubChem CID 116742455) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
PubChem CID116742455
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
SMILESCOC1(c2noc(N)n2)CCC(C)CC1
InChIInChI=1S/C10H17N3O2/c1-7-3-5-10(14-2,6-4-7)8-12-9(11)15-13-8/h7H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyBJKIKMMVYPSLRW-UHFFFAOYSA-N
XLogP1.70
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
N-cyclopropyl-3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778277
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 116742423
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742445
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
5-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 116742479
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116742411
3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 116781727
(1R)-1-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565597
2-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116742448

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine (CID 116742455) is 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine is COC1(c2noc(N)n2)CCC(C)CC1.
What is the InChIKey of 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BJKIKMMVYPSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-3-5-10(14-2,6-4-7)8-12-9(11)15-13-8/h7H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine?
3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 211.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 116742455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).