4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C15H18N2O3 — CID 63346269

IUPAC4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccccc1-c1noc(C2CCC(O)CC2)n1
InChIInChI=1S/C15H18N2O3/c1-19-13-5-3-2-4-12(13)14-16-15(20-17-14)10-6-8-11(18)9-7-10/h2-5,10-11,18H,6-9H2,1H3
InChIKeyOQQWVGLJTWCQFC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.76
Rot. Bonds3

About 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 63346269) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID63346269
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccccc1-c1noc(C2CCC(O)CC2)n1
InChIInChI=1S/C15H18N2O3/c1-19-13-5-3-2-4-12(13)14-16-15(20-17-14)10-6-8-11(18)9-7-10/h2-5,10-11,18H,6-9H2,1H3
InChIKeyOQQWVGLJTWCQFC-UHFFFAOYSA-N
XLogP2.76
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
5-cyclobutyl-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 165475619
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096476

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 63346269) is 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is COc1ccccc1-c1noc(C2CCC(O)CC2)n1.
What is the InChIKey of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is OQQWVGLJTWCQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-5-3-2-4-12(13)14-16-15(20-17-14)10-6-8-11(18)9-7-10/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 274.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 63346269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).