5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

C19H20N4O3S — CID 136816035

IUPAC5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCc1scc(C(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c1C
InChIInChI=1S/C19H20N4O3S/c1-11-12(2)27-10-15(11)19(25)23-7-5-13(6-8-23)17-21-18(26-22-17)14-3-4-16(24)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,24)
InChIKeyVFXKLXNXUFYYSE-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.12
Rot. Bonds3

About 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 136816035) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID136816035
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESCc1scc(C(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c1C
InChIInChI=1S/C19H20N4O3S/c1-11-12(2)27-10-15(11)19(25)23-7-5-13(6-8-23)17-21-18(26-22-17)14-3-4-16(24)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,24)
InChIKeyVFXKLXNXUFYYSE-UHFFFAOYSA-N
XLogP3.12
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816004
(4,5-dimethylthiophen-3-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221258
[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53179216
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
(2,4-dimethylphenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121824
1H-indol-2-yl-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 50831443
(E)-3-(4-methylphenyl)-1-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 46389295
(4-methylthiadiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417924
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129417268
cyclopropyl-[(3R)-3-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 129416928
5-(3-iodo-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136710786
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 136816035) is 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is Cc1scc(C(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)c1C.
What is the InChIKey of 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is VFXKLXNXUFYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11-12(2)27-10-15(11)19(25)23-7-5-13(6-8-23)17-21-18(26-22-17)14-3-4-16(24)20-9-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,24).
What are the key properties of 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 384.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136816035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).