1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea

C18H24N4O4S — CID 167841797

IUPAC1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ncoc3C)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-3-5-16(6-4-13)27(24,25)22-9-7-15(8-10-22)21-18(23)19-11-17-14(2)26-12-20-17/h3-6,12,15H,7-11H2,1-2H3,(H2,19,21,23)
InChIKeyUSYFEWDAJVHEFJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.94
Rot. Bonds5

About 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea (PubChem CID 167841797) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
PubChem CID167841797
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ncoc3C)CC2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-3-5-16(6-4-13)27(24,25)22-9-7-15(8-10-22)21-18(23)19-11-17-14(2)26-12-20-17/h3-6,12,15H,7-11H2,1-2H3,(H2,19,21,23)
InChIKeyUSYFEWDAJVHEFJ-UHFFFAOYSA-N
XLogP1.94
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea (CID 167841797) is 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ncoc3C)CC2)cc1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea?
The InChIKey is USYFEWDAJVHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-3-5-16(6-4-13)27(24,25)22-9-7-15(8-10-22)21-18(23)19-11-17-14(2)26-12-20-17/h3-6,12,15H,7-11H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea?
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea has a molecular weight of 392.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea is sourced from PubChem (CID 167841797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).