1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

C11H19N3O2 — CID 61353321

IUPAC1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCOCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-8-3-5-11(12,6-4-8)10-13-9(7-15-2)16-14-10/h8H,3-7,12H2,1-2H3
InChIKeyQHUSMVDRCRRVHX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.58
Rot. Bonds3

About 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine

1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 61353321) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID61353321
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCOCc1nc(C2(N)CCC(C)CC2)no1
InChIInChI=1S/C11H19N3O2/c1-8-3-5-11(12,6-4-8)10-13-9(7-15-2)16-14-10/h8H,3-7,12H2,1-2H3
InChIKeyQHUSMVDRCRRVHX-UHFFFAOYSA-N
XLogP1.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353317
4-methyl-1-(5-octyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 65426791
1-(5-hexyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 114753771
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103211741
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 103166227
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353118
1-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61353316
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-(cyclohexyloxymethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854290
1-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 104632823
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 61353321) is 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is COCc1nc(C2(N)CCC(C)CC2)no1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is QHUSMVDRCRRVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-3-5-11(12,6-4-8)10-13-9(7-15-2)16-14-10/h8H,3-7,12H2,1-2H3.
What are the key properties of 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61353321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).