5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C8H13N3O2 — CID 86276587

IUPAC5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1noc(C2CC(O)CN2)n1
InChIInChI=1S/C8H13N3O2/c1-2-7-10-8(13-11-7)6-3-5(12)4-9-6/h5-6,9,12H,2-4H2,1H3
InChIKeyCWEGJDPWSAGFTA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.03
Rot. Bonds2

About 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 86276587) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID86276587
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1noc(C2CC(O)CN2)n1
InChIInChI=1S/C8H13N3O2/c1-2-7-10-8(13-11-7)6-3-5(12)4-9-6/h5-6,9,12H,2-4H2,1H3
InChIKeyCWEGJDPWSAGFTA-UHFFFAOYSA-N
XLogP0.03
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
(3R,5R)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103146226
(5S)-5-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911204
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(5S)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911085

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 86276587) is 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is CCc1noc(C2CC(O)CN2)n1.
What is the InChIKey of 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is CWEGJDPWSAGFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7-10-8(13-11-7)6-3-5(12)4-9-6/h5-6,9,12H,2-4H2,1H3.
What are the key properties of 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 183.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 86276587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).