1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol

C12H20N2O3 — CID 116780808

IUPAC1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOC1(c2noc(C(C)O)n2)CCCC(C)C1
InChIInChI=1S/C12H20N2O3/c1-8-5-4-6-12(7-8,16-3)11-13-10(9(2)15)17-14-11/h8-9,15H,4-7H2,1-3H3
InChIKeyQUCYINDUHIOTPD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.17
Rot. Bonds3

About 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol

1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 116780808) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID116780808
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCOC1(c2noc(C(C)O)n2)CCCC(C)C1
InChIInChI=1S/C12H20N2O3/c1-8-5-4-6-12(7-8,16-3)11-13-10(9(2)15)17-14-11/h8-9,15H,4-7H2,1-3H3
InChIKeyQUCYINDUHIOTPD-UHFFFAOYSA-N
XLogP2.17
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116780435
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781367
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780426
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780818
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116781385
(3R,5R)-5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912574
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 137017801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 116780808) is 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol is COC1(c2noc(C(C)O)n2)CCCC(C)C1.
What is the InChIKey of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QUCYINDUHIOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-5-4-6-12(7-8,16-3)11-13-10(9(2)15)17-14-11/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 116780808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).