1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol

C12H20N2O2 — CID 63345168

IUPAC1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C12H20N2O2/c1-8(2)10(15)7-11-13-12(14-16-11)9-5-3-4-6-9/h8-10,15H,3-7H2,1-2H3
InChIKeyCSLDYMPGJMTTIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol

1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol (PubChem CID 63345168) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
PubChem CID63345168
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc(C2CCCC2)no1
InChIInChI=1S/C12H20N2O2/c1-8(2)10(15)7-11-13-12(14-16-11)9-5-3-4-6-9/h8-10,15H,3-7H2,1-2H3
InChIKeyCSLDYMPGJMTTIT-UHFFFAOYSA-N
XLogP2.29
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
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
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
CID 106526000
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
3,3-dimethyl-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349828
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811
3-methyl-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 113391746
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol (CID 63345168) is 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol is CC(C)C(O)Cc1nc(C2CCCC2)no1.
What is the InChIKey of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol?
The InChIKey is CSLDYMPGJMTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)10(15)7-11-13-12(14-16-11)9-5-3-4-6-9/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol?
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 63345168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).