1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C9H13N3O2 — CID 110269216

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)no2)C1
InChIInChI=1S/C9H13N3O2/c1-6-10-9(14-11-6)8-3-4-12(5-8)7(2)13/h8H,3-5H2,1-2H3
InChIKeyBEXMXBUJZSSIFN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.71
Rot. Bonds1

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 110269216) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID110269216
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C)no2)C1
InChIInChI=1S/C9H13N3O2/c1-6-10-9(14-11-6)8-3-4-12(5-8)7(2)13/h8H,3-5H2,1-2H3
InChIKeyBEXMXBUJZSSIFN-UHFFFAOYSA-N
XLogP0.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 110269216) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C)no2)C1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BEXMXBUJZSSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-10-9(14-11-6)8-3-4-12(5-8)7(2)13/h8H,3-5H2,1-2H3.
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 195.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).