1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H19N3O2 — CID 115347281

IUPAC1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)CCc1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-14(2)6-5-10-12-11(16-13-10)7-9(15)8-3-4-8/h8-9,15H,3-7H2,1-2H3
InChIKeyJSNMWRRCMGZAHW-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.49
Rot. Bonds6

About 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115347281) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115347281
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)CCc1noc(CC(O)C2CC2)n1
InChIInChI=1S/C11H19N3O2/c1-14(2)6-5-10-12-11(16-13-10)7-9(15)8-3-4-8/h8-9,15H,3-7H2,1-2H3
InChIKeyJSNMWRRCMGZAHW-UHFFFAOYSA-N
XLogP0.49
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 113390662
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106815685
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 115347282
1-cyclopropyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 103150962
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-cyclopropylethanol
CID 63345351
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
1-cyclopropyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]ethanol
CID 111858607
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115345512
1-cyclopropyl-2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65391668
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 66153346
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 115347281) is 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is CN(C)CCc1noc(CC(O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JSNMWRRCMGZAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14(2)6-5-10-12-11(16-13-10)7-9(15)8-3-4-8/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115347281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).