5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C23H25FN2O3S — CID 18826788

IUPAC5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCC1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H25FN2O3S/c1-3-17-12-14-26(15-13-17)23-22(30(27,28)18-10-8-16(2)9-11-18)25-21(29-23)19-6-4-5-7-20(19)24/h4-11,17H,3,12-15H2,1-2H3
InChIKeyVWXNAJUXTUWUFC-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.25
Rot. Bonds5

About 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 18826788) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID18826788
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCCC1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H25FN2O3S/c1-3-17-12-14-26(15-13-17)23-22(30(27,28)18-10-8-16(2)9-11-18)25-21(29-23)19-6-4-5-7-20(19)24/h4-11,17H,3,12-15H2,1-2H3
InChIKeyVWXNAJUXTUWUFC-UHFFFAOYSA-N
XLogP5.25
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 18826788) is 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is CCC1CCN(c2oc(-c3ccccc3F)nc2S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is VWXNAJUXTUWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-3-17-12-14-26(15-13-17)23-22(30(27,28)18-10-8-16(2)9-11-18)25-21(29-23)19-6-4-5-7-20(19)24/h4-11,17H,3,12-15H2,1-2H3.
What are the key properties of 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 428.53 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 18826788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).