2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole

C9H15N3O2 — CID 62329287

IUPAC2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(COC2CCNC2)o1
InChIInChI=1S/C9H15N3O2/c1-2-8-11-12-9(14-8)6-13-7-3-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyJZEAHVFPYKEIQS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.51
Rot. Bonds4

About 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole

2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 62329287) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole
PubChem CID62329287
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole
SMILESCCc1nnc(COC2CCNC2)o1
InChIInChI=1S/C9H15N3O2/c1-2-8-11-12-9(14-8)6-13-7-3-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyJZEAHVFPYKEIQS-UHFFFAOYSA-N
XLogP0.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole (CID 62329287) is 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole is CCc1nnc(COC2CCNC2)o1.
What is the InChIKey of 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is JZEAHVFPYKEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-8-11-12-9(14-8)6-13-7-3-4-10-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole?
2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 197.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(pyrrolidin-3-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62329287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).