3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

C20H20FN3O4S2 — CID 92569566

IUPAC3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C20H20FN3O4S2/c21-15-3-1-5-17(11-15)30(26,27)24-8-6-14(7-9-24)18-12-19(28-23-18)20(25)22-13-16-4-2-10-29-16/h1-5,10-12,14H,6-9,13H2,(H,22,25)
InChIKeySLIUOIBISPTMCF-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.37
Rot. Bonds6

About 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 92569566) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID92569566
Molecular FormulaC20H20FN3O4S2
Molecular Weight449.53 g/mol
Exact Mass449.09
IUPAC Name3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1
InChIInChI=1S/C20H20FN3O4S2/c21-15-3-1-5-17(11-15)30(26,27)24-8-6-14(7-9-24)18-12-19(28-23-18)20(25)22-13-16-4-2-10-29-16/h1-5,10-12,14H,6-9,13H2,(H,22,25)
InChIKeySLIUOIBISPTMCF-UHFFFAOYSA-N
XLogP3.37
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92595368
3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568018
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
N-[(4-fluorophenyl)methyl]-3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568611
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 9369420
6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide
CID 95817690
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 134011505
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
N-[(4-fluorophenyl)methyl]-3-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92572794
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 92569566) is 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCc1cccs1)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SLIUOIBISPTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c21-15-3-1-5-17(11-15)30(26,27)24-8-6-14(7-9-24)18-12-19(28-23-18)20(25)22-13-16-4-2-10-29-16/h1-5,10-12,14H,6-9,13H2,(H,22,25).
What are the key properties of 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92569566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).