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

C9H14N2O2 — CID 63346025

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(C2CC2)no1
InChIInChI=1S/C9H14N2O2/c1-5(6(2)12)9-10-8(11-13-9)7-3-4-7/h5-7,12H,3-4H2,1-2H3
InChIKeyCJPGOHRXUHTBDY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds3

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

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63346025) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63346025
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1nc(C2CC2)no1
InChIInChI=1S/C9H14N2O2/c1-5(6(2)12)9-10-8(11-13-9)7-3-4-7/h5-7,12H,3-4H2,1-2H3
InChIKeyCJPGOHRXUHTBDY-UHFFFAOYSA-N
XLogP1.43
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65392070
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
1,1,1-trifluoro-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65334470
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500634
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63346025) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(O)C(C)c1nc(C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is CJPGOHRXUHTBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(6(2)12)9-10-8(11-13-9)7-3-4-7/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 182.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63346025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).