4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole

C21H22N2O3S — CID 18824785

IUPAC4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
SMILESCC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N2O3S/c1-16-12-14-23(15-13-16)21-20(27(24,25)18-10-6-3-7-11-18)22-19(26-21)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyFDXMYEKKMYFBOW-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.41
Rot. Bonds4

About 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole

4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole (PubChem CID 18824785) has the molecular formula C21H22N2O3S and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
PubChem CID18824785
Molecular FormulaC21H22N2O3S
Molecular Weight382.48 g/mol
Exact Mass382.14
IUPAC Name4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
SMILESCC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22N2O3S/c1-16-12-14-23(15-13-16)21-20(27(24,25)18-10-6-3-7-11-18)22-19(26-21)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
InChIKeyFDXMYEKKMYFBOW-UHFFFAOYSA-N
XLogP4.41
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole (CID 18824785) is 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole is CC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
The InChIKey is FDXMYEKKMYFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-16-12-14-23(15-13-16)21-20(27(24,25)18-10-6-3-7-11-18)22-19(26-21)17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole?
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole has a molecular weight of 382.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 18824785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).