(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C12H22N4O2 — CID 104911066

IUPAC(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN(CC)CCc1noc([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C12H22N4O2/c1-3-16(4-2)6-5-11-14-12(18-15-11)10-7-9(17)8-13-10/h9-10,13,17H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyLHKUBRLLEGLMKM-AXDSSHIGSA-N
MW254.33 g/mol
LogP0.35
Rot. Bonds6

About (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911066) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911066
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCN(CC)CCc1noc([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C12H22N4O2/c1-3-16(4-2)6-5-11-14-12(18-15-11)10-7-9(17)8-13-10/h9-10,13,17H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyLHKUBRLLEGLMKM-AXDSSHIGSA-N
XLogP0.35
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(3R,5R)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103146226
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911204

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911066) is (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCN(CC)CCc1noc([C@@H]2CC(O)CN2)n1.
What is the InChIKey of (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is LHKUBRLLEGLMKM-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-16(4-2)6-5-11-14-12(18-15-11)10-7-9(17)8-13-10/h9-10,13,17H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 254.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).