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

C14H25N3O2 — CID 116701980

IUPAC1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCCOC(CC)c1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(18-5-2)12-16-13(19-17-12)14(15)8-6-10(3)7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyKGUNSCXYCGFHIU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.92
Rot. Bonds5

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

1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (PubChem CID 116701980) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
PubChem CID116701980
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
SMILESCCOC(CC)c1noc(C2(N)CCC(C)CC2)n1
InChIInChI=1S/C14H25N3O2/c1-4-11(18-5-2)12-16-13(19-17-12)14(15)8-6-10(3)7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyKGUNSCXYCGFHIU-UHFFFAOYSA-N
XLogP2.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045
1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 113391105
5-(1-amino-4-methylcyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753280
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 116740457
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702159
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116743659
1-cyclopentyl-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116733127
(1S,2S)-1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900343
[2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116702128
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116732801
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine (CID 116701980) is 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is CCOC(CC)c1noc(C2(N)CCC(C)CC2)n1.
What is the InChIKey of 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
The InChIKey is KGUNSCXYCGFHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-11(18-5-2)12-16-13(19-17-12)14(15)8-6-10(3)7-9-14/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine?
1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 116701980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).