1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol

C13H22N2O2 — CID 65425182

IUPAC1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H22N2O2/c1-2-11(16)9-12-14-13(15-17-12)10-7-5-3-4-6-8-10/h10-11,16H,2-9H2,1H3
InChIKeyHEWOJRZFGZZPER-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol

1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 65425182) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID65425182
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCCC(O)Cc1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H22N2O2/c1-2-11(16)9-12-14-13(15-17-12)10-7-5-3-4-6-8-10/h10-11,16H,2-9H2,1H3
InChIKeyHEWOJRZFGZZPER-UHFFFAOYSA-N
XLogP2.82
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
CID 106526000
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1,1-difluoropropan-2-one
CID 55202191
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
3-hydroxy-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524192

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 65425182) is 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol is CCC(O)Cc1nc(C2CCCCCC2)no1.
What is the InChIKey of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is HEWOJRZFGZZPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-11(16)9-12-14-13(15-17-12)10-7-5-3-4-6-8-10/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65425182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).