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

C22H23FN2O3S — CID 18826769

IUPAC2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCC(C)CC2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-15-7-9-17(10-8-15)29(26,27)21-22(25-13-11-16(2)12-14-25)28-20(24-21)18-5-3-4-6-19(18)23/h3-10,16H,11-14H2,1-2H3
InChIKeyMIECKLQTTRQEBT-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.86
Rot. Bonds4

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

2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18826769) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18826769
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCC(C)CC2)cc1
InChIInChI=1S/C22H23FN2O3S/c1-15-7-9-17(10-8-15)29(26,27)21-22(25-13-11-16(2)12-14-25)28-20(24-21)18-5-3-4-6-19(18)23/h3-10,16H,11-14H2,1-2H3
InChIKeyMIECKLQTTRQEBT-UHFFFAOYSA-N
XLogP4.86
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18826769) is 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole is Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is MIECKLQTTRQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-15-7-9-17(10-8-15)29(26,27)21-22(25-13-11-16(2)12-14-25)28-20(24-21)18-5-3-4-6-19(18)23/h3-10,16H,11-14H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 414.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18826769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).