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

C16H27N3O2 — CID 103166227

IUPAC1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCCOC1CC(Cc2nc(C3(N)CCC(C)CC3)no2)C1
InChIInChI=1S/C16H27N3O2/c1-3-20-13-8-12(9-13)10-14-18-15(19-21-14)16(17)6-4-11(2)5-7-16/h11-13H,3-10,17H2,1-2H3
InChIKeyUIFWNOWOBPHLSG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.79
Rot. Bonds5

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

1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (PubChem CID 103166227) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
PubChem CID103166227
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
SMILESCCOC1CC(Cc2nc(C3(N)CCC(C)CC3)no2)C1
InChIInChI=1S/C16H27N3O2/c1-3-20-13-8-12(9-13)10-14-18-15(19-21-14)16(17)6-4-11(2)5-7-16/h11-13H,3-10,17H2,1-2H3
InChIKeyUIFWNOWOBPHLSG-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine (CID 103166227) is 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is CCOC1CC(Cc2nc(C3(N)CCC(C)CC3)no2)C1.
What is the InChIKey of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
The InChIKey is UIFWNOWOBPHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-20-13-8-12(9-13)10-14-18-15(19-21-14)16(17)6-4-11(2)5-7-16/h11-13H,3-10,17H2,1-2H3.
What are the key properties of 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine?
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103166227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).