(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol

C11H18N2O2 — CID 80611110

IUPAC(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C11H18N2O2/c14-8-10-12-11(13-15-10)9-6-4-2-1-3-5-7-9/h9,14H,1-8H2
InChIKeySSHVWBOJWMCLCR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.39
Rot. Bonds2

About (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol

(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 80611110) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID80611110
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
SMILESOCc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C11H18N2O2/c14-8-10-12-11(13-15-10)9-6-4-2-1-3-5-7-9/h9,14H,1-8H2
InChIKeySSHVWBOJWMCLCR-UHFFFAOYSA-N
XLogP2.39
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079897
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168

Frequently Asked Questions

What is the IUPAC name of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol (CID 80611110) is (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol is OCc1nc(C2CCCCCCC2)no1.
What is the InChIKey of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is SSHVWBOJWMCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-8-10-12-11(13-15-10)9-6-4-2-1-3-5-7-9/h9,14H,1-8H2.
What are the key properties of (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol?
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 80611110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).