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

C9H15N3O2 — CID 130927622

IUPAC4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESCCC1CN(Cc2ncno2)CC1O
InChIInChI=1S/C9H15N3O2/c1-2-7-3-12(4-8(7)13)5-9-10-6-11-14-9/h6-8,13H,2-5H2,1H3
InChIKeyRBNCWWFXNYBMBY-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds3

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

4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 130927622) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID130927622
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESCCC1CN(Cc2ncno2)CC1O
InChIInChI=1S/C9H15N3O2/c1-2-7-3-12(4-8(7)13)5-9-10-6-11-14-9/h6-8,13H,2-5H2,1H3
InChIKeyRBNCWWFXNYBMBY-UHFFFAOYSA-N
XLogP0.27
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol (CID 130927622) is 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is CCC1CN(Cc2ncno2)CC1O.
What is the InChIKey of 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is RBNCWWFXNYBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7-3-12(4-8(7)13)5-9-10-6-11-14-9/h6-8,13H,2-5H2,1H3.
What are the key properties of 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol?
4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130927622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).