[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C19H19N3O2S — CID 3226119

IUPAC[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1-c1noc(C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)17-20-18(24-21-17)14-7-4-10-22(12-14)19(23)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3
InChIKeyVUTGTYRVIKXXRG-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.13
Rot. Bonds3

About [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 3226119) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID3226119
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1-c1noc(C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)17-20-18(24-21-17)14-7-4-10-22(12-14)19(23)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3
InChIKeyVUTGTYRVIKXXRG-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 70316849
[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 1457013
(3-methylphenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457328
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
(4-bromophenyl)-[(3R)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457358
(4-bromophenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457355
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 68930683
1-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 95116467
[(2R)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95057587
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 3226119) is [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1ccccc1-c1noc(C2CCCN(C(=O)c3cccs3)C2)n1.
What is the InChIKey of [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VUTGTYRVIKXXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-6-2-3-8-15(13)17-20-18(24-21-17)14-7-4-10-22(12-14)19(23)16-9-5-11-25-16/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3.
What are the key properties of [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3226119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).