[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

C18H17N3O3S — CID 93049705

IUPAC[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-13-8-6-12(7-9-13)16-19-17(24-20-16)14-4-2-10-21(14)18(22)15-5-3-11-25-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m1/s1
InChIKeyTZDIULXFKFANRP-CQSZACIVSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds4

About [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 93049705) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID93049705
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C18H17N3O3S/c1-23-13-8-6-12(7-9-13)16-19-17(24-20-16)14-4-2-10-21(14)18(22)15-5-3-11-25-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m1/s1
InChIKeyTZDIULXFKFANRP-CQSZACIVSA-N
XLogP3.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 813034
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 42765232
(3,5-dimethylphenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 75527838
(4-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4258624
cyclobutyl-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813039
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
(2,4-dimethoxyphenyl)-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7416925
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 4202280
4-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]benzonitrile
CID 91916591
(2-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760418

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 93049705) is [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cccs3)n2)cc1.
What is the InChIKey of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is TZDIULXFKFANRP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-13-8-6-12(7-9-13)16-19-17(24-20-16)14-4-2-10-21(14)18(22)15-5-3-11-25-15/h3,5-9,11,14H,2,4,10H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 355.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 93049705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).