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

C9H14N2O2 — CID 107924492

IUPAC1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-5(12)8-10-7(11-13-8)6-4-9(6,2)3/h5-6,12H,4H2,1-3H3
InChIKeyQRWJRFPTSRQPOL-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.64
Rot. Bonds2

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

1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 107924492) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID107924492
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C2CC2(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-5(12)8-10-7(11-13-8)6-4-9(6,2)3/h5-6,12H,4H2,1-3H3
InChIKeyQRWJRFPTSRQPOL-UHFFFAOYSA-N
XLogP1.64
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880761
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 107924584
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 114016428
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
1-[3-(1,1-dioxothian-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079891
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079949
(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 107925222

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 107924492) is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(C2CC2(C)C)no1.
What is the InChIKey of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QRWJRFPTSRQPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(12)8-10-7(11-13-8)6-4-9(6,2)3/h5-6,12H,4H2,1-3H3.
What are the key properties of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 182.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 107924492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).