3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one

C16H20N4O2 — CID 91915205

IUPAC3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C16H20N4O2/c1-11(2)9-14(21)20-8-5-13(10-20)15-18-16(22-19-15)12-3-6-17-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3
InChIKeyPAUAWUFIJCRHFO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds4

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

3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 91915205) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID91915205
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1
InChIInChI=1S/C16H20N4O2/c1-11(2)9-14(21)20-8-5-13(10-20)15-18-16(22-19-15)12-3-6-17-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3
InChIKeyPAUAWUFIJCRHFO-UHFFFAOYSA-N
XLogP2.49
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one (CID 91915205) is 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(c2noc(-c3ccncc3)n2)C1.
What is the InChIKey of 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is PAUAWUFIJCRHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)9-14(21)20-8-5-13(10-20)15-18-16(22-19-15)12-3-6-17-7-4-12/h3-4,6-7,11,13H,5,8-10H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 300.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 91915205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).