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

C15H27N3O2 — CID 116742839

IUPAC4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC1(c2noc(CCC(C)N)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-4-19-15(9-5-6-11(2)10-15)14-17-13(20-18-14)8-7-12(3)16/h11-12H,4-10,16H2,1-3H3
InChIKeyNBWVSFIZOOOULZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds6

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

4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116742839) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116742839
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCOC1(c2noc(CCC(C)N)n2)CCCC(C)C1
InChIInChI=1S/C15H27N3O2/c1-4-19-15(9-5-6-11(2)10-15)14-17-13(20-18-14)8-7-12(3)16/h11-12H,4-10,16H2,1-3H3
InChIKeyNBWVSFIZOOOULZ-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
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]-2-methylbutan-2-amine
CID 116742919
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
4-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742227
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116781385
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 116780825
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
2-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116744145
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116742839) is 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCOC1(c2noc(CCC(C)N)n2)CCCC(C)C1.
What is the InChIKey of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is NBWVSFIZOOOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-15(9-5-6-11(2)10-15)14-17-13(20-18-14)8-7-12(3)16/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 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]butan-2-amine is sourced from PubChem (CID 116742839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).