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

C19H20N2O4S — CID 4914437

IUPAC4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4S/c1-14-9-11-21(12-10-14)19-18(20-17(25-19)16-8-5-13-24-16)26(22,23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyAWJZQVNJJWMGAE-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.00
Rot. Bonds4

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

4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 4914437) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID4914437
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H20N2O4S/c1-14-9-11-21(12-10-14)19-18(20-17(25-19)16-8-5-13-24-16)26(22,23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3
InChIKeyAWJZQVNJJWMGAE-UHFFFAOYSA-N
XLogP4.00
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 4914437) is 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is AWJZQVNJJWMGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-9-11-21(12-10-14)19-18(20-17(25-19)16-8-5-13-24-16)26(22,23)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 372.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 4914437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).