1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol

C15H26N2O4 — CID 116780825

IUPAC1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCCOC1(c2noc(CC(O)COC)n2)CCCC(C)C1
InChIInChI=1S/C15H26N2O4/c1-4-20-15(7-5-6-11(2)9-15)14-16-13(21-17-14)8-12(18)10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyGMLSOCINPBQAGE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.06
Rot. Bonds7

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

1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (PubChem CID 116780825) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
PubChem CID116780825
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
SMILESCCOC1(c2noc(CC(O)COC)n2)CCCC(C)C1
InChIInChI=1S/C15H26N2O4/c1-4-20-15(7-5-6-11(2)9-15)14-16-13(21-17-14)8-12(18)10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyGMLSOCINPBQAGE-UHFFFAOYSA-N
XLogP2.06
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

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]ethanamine
CID 116742888
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116742919
2-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116744145
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 116778355
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116742898

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol (CID 116780825) is 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is CCOC1(c2noc(CC(O)COC)n2)CCCC(C)C1.
What is the InChIKey of 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
The InChIKey is GMLSOCINPBQAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-20-15(7-5-6-11(2)9-15)14-16-13(21-17-14)8-12(18)10-19-3/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol?
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 116780825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).