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

C13H16N2O3 — CID 104790960

IUPAC4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCc1occc1-c1noc(C2CCC(O)CC2)n1
InChIInChI=1S/C13H16N2O3/c1-8-11(6-7-17-8)12-14-13(18-15-12)9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3
InChIKeyWABMSQITBZJFEA-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.66
Rot. Bonds2

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

4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 104790960) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID104790960
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCc1occc1-c1noc(C2CCC(O)CC2)n1
InChIInChI=1S/C13H16N2O3/c1-8-11(6-7-17-8)12-14-13(18-15-12)9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3
InChIKeyWABMSQITBZJFEA-UHFFFAOYSA-N
XLogP2.66
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.66
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
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 104788754
N-methyl-4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104788882
5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526792
3-(2-methylfuran-3-yl)-5-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,4-oxadiazole
CID 106902703
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 104790947
4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114429997
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 104790960) is 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is Cc1occc1-c1noc(C2CCC(O)CC2)n1.
What is the InChIKey of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is WABMSQITBZJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-11(6-7-17-8)12-14-13(18-15-12)9-2-4-10(16)5-3-9/h6-7,9-10,16H,2-5H2,1H3.
What are the key properties of 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 248.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 104790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).