1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide

C20H22FN5O2S — CID 91952095

IUPAC1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide
SMILESCCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nccs3)c(F)c2)no1
InChIInChI=1S/C20H22FN5O2S/c1-2-17-24-19(25-28-17)13-6-7-15(14(21)11-13)26-9-4-3-5-16(26)20(27)23-12-18-22-8-10-29-18/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,23,27)
InChIKeyZWVQJBDZZSCNQT-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.57
Rot. Bonds6

About 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 91952095) has the molecular formula C20H22FN5O2S and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide
PubChem CID91952095
Molecular FormulaC20H22FN5O2S
Molecular Weight415.49 g/mol
Exact Mass415.15
IUPAC Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide
SMILESCCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nccs3)c(F)c2)no1
InChIInChI=1S/C20H22FN5O2S/c1-2-17-24-19(25-28-17)13-6-7-15(14(21)11-13)26-9-4-3-5-16(26)20(27)23-12-18-22-8-10-29-18/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,23,27)
InChIKeyZWVQJBDZZSCNQT-UHFFFAOYSA-N
XLogP3.57
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperidine-2-carboxamide
CID 91952093
1-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 91952060
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91952117
1-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 91952127
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide (CID 91952095) is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide is CCc1nc(-c2ccc(N3CCCCC3C(=O)NCc3nccs3)c(F)c2)no1.
What is the InChIKey of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is ZWVQJBDZZSCNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2S/c1-2-17-24-19(25-28-17)13-6-7-15(14(21)11-13)26-9-4-3-5-16(26)20(27)23-12-18-22-8-10-29-18/h6-8,10-11,16H,2-5,9,12H2,1H3,(H,23,27).
What are the key properties of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide?
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 91952095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).