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

C15H24N2O3 — CID 116780818

IUPAC2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOC1(c2noc(C3CCCC3O)n2)CCCC(C)C1
InChIInChI=1S/C15H24N2O3/c1-10-5-4-8-15(9-10,19-2)14-16-13(20-17-14)11-6-3-7-12(11)18/h10-12,18H,3-9H2,1-2H3
InChIKeyYVKQJIBDKBZSNW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds3

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

2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 116780818) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID116780818
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOC1(c2noc(C3CCCC3O)n2)CCCC(C)C1
InChIInChI=1S/C15H24N2O3/c1-10-5-4-8-15(9-10,19-2)14-16-13(20-17-14)11-6-3-7-12(11)18/h10-12,18H,3-9H2,1-2H3
InChIKeyYVKQJIBDKBZSNW-UHFFFAOYSA-N
XLogP2.75
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 116780823
(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-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780801
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116780435
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 137017801
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116780819
[2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116743214
5-(azetidin-3-ylmethyl)-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazole
CID 116742701
4-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 116780818) is 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is COC1(c2noc(C3CCCC3O)n2)CCCC(C)C1.
What is the InChIKey of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is YVKQJIBDKBZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10-5-4-8-15(9-10,19-2)14-16-13(20-17-14)11-6-3-7-12(11)18/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 116780818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).