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

C15H21N5O2 — CID 71928995

IUPAC1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nc(C2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1
InChIInChI=1S/C15H21N5O2/c1-9-12(10(2)19(4)17-9)8-14(21)20-7-5-6-13(20)15-16-11(3)22-18-15/h13H,5-8H2,1-4H3
InChIKeyBAMYRLRIBHCSJW-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.63
Rot. Bonds3

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

1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 71928995) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID71928995
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nc(C2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1
InChIInChI=1S/C15H21N5O2/c1-9-12(10(2)19(4)17-9)8-14(21)20-7-5-6-13(20)15-16-11(3)22-18-15/h13H,5-8H2,1-4H3
InChIKeyBAMYRLRIBHCSJW-UHFFFAOYSA-N
XLogP1.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 71928995) is 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nc(C2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1.
What is the InChIKey of 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is BAMYRLRIBHCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-12(10(2)19(4)17-9)8-14(21)20-7-5-6-13(20)15-16-11(3)22-18-15/h13H,5-8H2,1-4H3.
What are the key properties of 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 303.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 71928995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).