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

C13H23N3O2 — CID 113391105

IUPAC1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOC(C)Cc1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-9-4-6-13(14,7-5-9)12-15-11(16-18-12)8-10(2)17-3/h9-10H,4-8,14H2,1-3H3
InChIKeyQGDLHUXPCYFBNO-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.01
Rot. Bonds4

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

1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 113391105) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID113391105
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCOC(C)Cc1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C13H23N3O2/c1-9-4-6-13(14,7-5-9)12-15-11(16-18-12)8-10(2)17-3/h9-10H,4-8,14H2,1-3H3
InChIKeyQGDLHUXPCYFBNO-UHFFFAOYSA-N
XLogP2.01
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (CID 113391105) is 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is COC(C)Cc1noc(C2(N)CCC(C)CC2)n1.
What is the InChIKey of 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is QGDLHUXPCYFBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-4-6-13(14,7-5-9)12-15-11(16-18-12)8-10(2)17-3/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 113391105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).