1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C13H16N6O2 — CID 95779644

IUPAC1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H16N6O2/c20-11(6-18-8-14-7-15-18)19-5-1-2-10(19)12-16-13(21-17-12)9-3-4-9/h7-10H,1-6H2/t10-/m1/s1
InChIKeyJUNDLDIEALCGGI-SNVBAGLBSA-N
MW288.31 g/mol
LogP0.90
Rot. Bonds4

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

1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 95779644) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID95779644
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C13H16N6O2/c20-11(6-18-8-14-7-15-18)19-5-1-2-10(19)12-16-13(21-17-12)9-3-4-9/h7-10H,1-6H2/t10-/m1/s1
InChIKeyJUNDLDIEALCGGI-SNVBAGLBSA-N
XLogP0.90
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 95779644) is 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is JUNDLDIEALCGGI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-11(6-18-8-14-7-15-18)19-5-1-2-10(19)12-16-13(21-17-12)9-3-4-9/h7-10H,1-6H2/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 288.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 95779644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).