2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole

C21H21FN2O4S — CID 18890231

IUPAC2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCCCC2)cc1
InChIInChI=1S/C21H21FN2O4S/c1-27-15-9-11-16(12-10-15)29(25,26)20-21(24-13-5-2-6-14-24)28-19(23-20)17-7-3-4-8-18(17)22/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyNJWYVBKWCOPRIC-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.31
Rot. Bonds5

About 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole

2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole (PubChem CID 18890231) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
PubChem CID18890231
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCCCC2)cc1
InChIInChI=1S/C21H21FN2O4S/c1-27-15-9-11-16(12-10-15)29(25,26)20-21(24-13-5-2-6-14-24)28-19(23-20)17-7-3-4-8-18(17)22/h3-4,7-12H,2,5-6,13-14H2,1H3
InChIKeyNJWYVBKWCOPRIC-UHFFFAOYSA-N
XLogP4.31
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole (CID 18890231) is 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole is COc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCCCC2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
The InChIKey is NJWYVBKWCOPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c1-27-15-9-11-16(12-10-15)29(25,26)20-21(24-13-5-2-6-14-24)28-19(23-20)17-7-3-4-8-18(17)22/h3-4,7-12H,2,5-6,13-14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole?
2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole has a molecular weight of 416.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole is sourced from PubChem (CID 18890231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).