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

C15H19N3O3 — CID 137017801

IUPAC2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOC1(c2noc(-c3ncccc3O)n2)CCCC(C)C1
InChIInChI=1S/C15H19N3O3/c1-10-5-3-7-15(9-10,20-2)14-17-13(21-18-14)12-11(19)6-4-8-16-12/h4,6,8,10,19H,3,5,7,9H2,1-2H3
InChIKeyMLHSXCSXTDOIIW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.89
Rot. Bonds3

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

2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 137017801) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID137017801
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESCOC1(c2noc(-c3ncccc3O)n2)CCCC(C)C1
InChIInChI=1S/C15H19N3O3/c1-10-5-3-7-15(9-10,20-2)14-17-13(21-18-14)12-11(19)6-4-8-16-12/h4,6,8,10,19H,3,5,7,9H2,1-2H3
InChIKeyMLHSXCSXTDOIIW-UHFFFAOYSA-N
XLogP2.89
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742709
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
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]cyclohexan-1-ol
CID 116780823
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771039
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116780435
5-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-3-carbonitrile
CID 136771040
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928492
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780426
3-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 116743211
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 137017801) is 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is COC1(c2noc(-c3ncccc3O)n2)CCCC(C)C1.
What is the InChIKey of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is MLHSXCSXTDOIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-5-3-7-15(9-10,20-2)14-17-13(21-18-14)12-11(19)6-4-8-16-12/h4,6,8,10,19H,3,5,7,9H2,1-2H3.
What are the key properties of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 289.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137017801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).