4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

C16H29N3O2 — CID 116742919

IUPAC4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCCOC1(c2noc(CCC(C)(C)N)n2)CCCC(C)C1
InChIInChI=1S/C16H29N3O2/c1-5-20-16(9-6-7-12(2)11-16)14-18-13(21-19-14)8-10-15(3,4)17/h12H,5-11,17H2,1-4H3
InChIKeyZRWGSCOEKQYHOK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.18
Rot. Bonds6

About 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine

4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (PubChem CID 116742919) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
PubChem CID116742919
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
SMILESCCOC1(c2noc(CCC(C)(C)N)n2)CCCC(C)C1
InChIInChI=1S/C16H29N3O2/c1-5-20-16(9-6-7-12(2)11-16)14-18-13(21-19-14)8-10-15(3,4)17/h12H,5-11,17H2,1-4H3
InChIKeyZRWGSCOEKQYHOK-UHFFFAOYSA-N
XLogP3.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 116780825
2-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116744145
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913
3-(1-ethoxy-3-methylcyclohexyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116742892
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine (CID 116742919) is 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is CCOC1(c2noc(CCC(C)(C)N)n2)CCCC(C)C1.
What is the InChIKey of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
The InChIKey is ZRWGSCOEKQYHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-20-16(9-6-7-12(2)11-16)14-18-13(21-19-14)8-10-15(3,4)17/h12H,5-11,17H2,1-4H3.
What are the key properties of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine?
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 116742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).