(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C20H21N3O2S — CID 121068792

IUPAC(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(c3nnc(-c4cccs4)o3)C2)c1
InChIInChI=1S/C20H21N3O2S/c1-13-9-14(2)11-16(10-13)20(24)23-7-3-5-15(12-23)18-21-22-19(25-18)17-6-4-8-26-17/h4,6,8-11,15H,3,5,7,12H2,1-2H3
InChIKeyMUBTWGHWBNJORR-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.43
Rot. Bonds3

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

(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121068792) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID121068792
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(c3nnc(-c4cccs4)o3)C2)c1
InChIInChI=1S/C20H21N3O2S/c1-13-9-14(2)11-16(10-13)20(24)23-7-3-5-15(12-23)18-21-22-19(25-18)17-6-4-8-26-17/h4,6,8-11,15H,3,5,7,12H2,1-2H3
InChIKeyMUBTWGHWBNJORR-UHFFFAOYSA-N
XLogP4.43
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-2-yl-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068822
(4-fluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93492617
(3-methoxyphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849844
(3-fluorophenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110243077
(3,4-difluorophenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863585
(4-phenylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068824
(2-methylphenyl)-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 95849840
2-methyl-1-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895985
(3S)-N-ethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 51896006
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863829
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068888

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121068792) is (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C)cc(C(=O)N2CCCC(c3nnc(-c4cccs4)o3)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is MUBTWGHWBNJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-9-14(2)11-16(10-13)20(24)23-7-3-5-15(12-23)18-21-22-19(25-18)17-6-4-8-26-17/h4,6,8-11,15H,3,5,7,12H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121068792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).