1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one

C13H15N3O2S — CID 28737412

IUPAC1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H15N3O2S/c17-12-6-2-8-16(12)7-1-5-11-14-13(15-18-11)10-4-3-9-19-10/h3-4,9H,1-2,5-8H2
InChIKeyHJTMFFCHEDQTEP-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.35
Rot. Bonds5

About 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one

1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one (PubChem CID 28737412) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
PubChem CID28737412
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H15N3O2S/c17-12-6-2-8-16(12)7-1-5-11-14-13(15-18-11)10-4-3-9-19-10/h3-4,9H,1-2,5-8H2
InChIKeyHJTMFFCHEDQTEP-UHFFFAOYSA-N
XLogP2.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-benzylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55409511
[1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidin-4-yl]methanol
CID 60500930
5-[3-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78829542
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
N,N-diethyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 55436740
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
5-[3-(3-methylpiperazin-1-yl)propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 65448841
N-prop-2-enyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 31688514
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
5-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 87015676
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189
1-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 17399408

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one (CID 28737412) is 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CCCc1nc(-c2cccs2)no1.
What is the InChIKey of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one?
The InChIKey is HJTMFFCHEDQTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-12-6-2-8-16(12)7-1-5-11-14-13(15-18-11)10-4-3-9-19-10/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one?
1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one has a molecular weight of 277.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 28737412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).