2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid

C10H14N4O3 — CID 69492114

IUPAC2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(C2CNC2)no1
InChIInChI=1S/C10H14N4O3/c15-10(16)14-3-1-2-7(14)9-12-8(13-17-9)6-4-11-5-6/h6-7,11H,1-5H2,(H,15,16)
InChIKeyALDVCOIYPGWKJO-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.57
Rot. Bonds2

About 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid

2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid (PubChem CID 69492114) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
PubChem CID69492114
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(C2CNC2)no1
InChIInChI=1S/C10H14N4O3/c15-10(16)14-3-1-2-7(14)9-12-8(13-17-9)6-4-11-5-6/h6-7,11H,1-5H2,(H,15,16)
InChIKeyALDVCOIYPGWKJO-UHFFFAOYSA-N
XLogP0.57
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propylpyrrolidine-1-carboxamide
CID 91918857
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
[2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-cyclooct-4-en-1-ylmethanone
CID 123339088
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90564606
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 90564655
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid (CID 69492114) is 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1nc(C2CNC2)no1.
What is the InChIKey of 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is ALDVCOIYPGWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-10(16)14-3-1-2-7(14)9-12-8(13-17-9)6-4-11-5-6/h6-7,11H,1-5H2,(H,15,16).
What are the key properties of 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid?
2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69492114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).