3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one

C15H17N3O3 — CID 75381237

IUPAC3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C15H17N3O3/c1-2-6-13-16-18(15(20)21-13)12-9-10-17(14(12)19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyXTYMYAVRQUEMPO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.77
Rot. Bonds4

About 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one

3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 75381237) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID75381237
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C15H17N3O3/c1-2-6-13-16-18(15(20)21-13)12-9-10-17(14(12)19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyXTYMYAVRQUEMPO-UHFFFAOYSA-N
XLogP1.77
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(3-pyrrolidin-1-ylphenyl)-4H-pyrazol-3-one
CID 127041690
N-Methyl-2-(2-oxopyrrolidin-1-yl)-N-phenylacetamide
CID 39954193
3-[1-(2,6-Difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-2,3-dihydro-1,3,4-oxadiazol-2-one
CID 75381251
1-Acetyl-5-carbamoyl-3-methyl-2-phenylpyrazolidine
CID 129796619
3-(N-methylanilino)-1-propan-2-ylpyrrolidin-2-one
CID 175653672
(3R,5R)-3-(dimethylamino)-5-methyl-1-phenylpyrrolidin-2-one
CID 3034874
3-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97227144
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
CID 97227145
tert-butyl N-[3-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 100654399
tert-butyl N-[3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 100654412
tert-butyl N-[3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propyl]-N-methylcarbamate
CID 119037327
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetamide
CID 132364114

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one (CID 75381237) is 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn(C2CCN(c3ccccc3)C2=O)c(=O)o1.
What is the InChIKey of 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is XTYMYAVRQUEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-6-13-16-18(15(20)21-13)12-9-10-17(14(12)19)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one?
3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75381237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).