[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol

C8H12N2O2 — CID 107924486

IUPAC[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC1(C)CC1c1noc(CO)n1
InChIInChI=1S/C8H12N2O2/c1-8(2)3-5(8)7-9-6(4-11)12-10-7/h5,11H,3-4H2,1-2H3
InChIKeyOGQYPHBQAWVDTQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds2

About [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol

[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 107924486) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID107924486
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESCC1(C)CC1c1noc(CO)n1
InChIInChI=1S/C8H12N2O2/c1-8(2)3-5(8)7-9-6(4-11)12-10-7/h5,11H,3-4H2,1-2H3
InChIKeyOGQYPHBQAWVDTQ-UHFFFAOYSA-N
XLogP1.08
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol with MolForge

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Related Compounds

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107924677
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 107924618
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 107924991
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 107924606
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 107925220
1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 107925102
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-[1-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]acetic acid
CID 107925264
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107924492
3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol (CID 107924486) is [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol is CC1(C)CC1c1noc(CO)n1.
What is the InChIKey of [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is OGQYPHBQAWVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(2)3-5(8)7-9-6(4-11)12-10-7/h5,11H,3-4H2,1-2H3.
What are the key properties of [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 168.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 107924486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).