4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole

C23H25ClN2O4S — CID 18839593

IUPAC4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCOc1ccc(Cc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)o2)cc1
InChIInChI=1S/C23H25ClN2O4S/c1-16-11-13-26(14-12-16)23-22(31(27,28)20-9-5-18(24)6-10-20)25-21(30-23)15-17-3-7-19(29-2)8-4-17/h3-10,16H,11-15H2,1-2H3
InChIKeyQXEFHKXDBFIGNB-UHFFFAOYSA-N
MW460.98 g/mol
LogP5.00
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole

4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18839593) has the molecular formula C23H25ClN2O4S and a molecular weight of 460.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18839593
Molecular FormulaC23H25ClN2O4S
Molecular Weight460.98 g/mol
Exact Mass460.12
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCOc1ccc(Cc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)o2)cc1
InChIInChI=1S/C23H25ClN2O4S/c1-16-11-13-26(14-12-16)23-22(31(27,28)20-9-5-18(24)6-10-20)25-21(30-23)15-17-3-7-19(29-2)8-4-17/h3-10,16H,11-15H2,1-2H3
InChIKeyQXEFHKXDBFIGNB-UHFFFAOYSA-N
XLogP5.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-4-(benzenesulfonyl)-2-[(4-methoxyphenyl)methyl]-1,3-oxazole
CID 18839597
2-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890246
4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890227
4-(4-chlorophenyl)sulfonyl-2-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824802
4-(4-chlorophenyl)sulfonyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 18825490
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-piperidin-1-yl-1,3-oxazole
CID 18890240
5-(azepan-1-yl)-2-(4-chlorophenyl)-4-(4-ethylphenyl)sulfonyl-1,3-oxazole
CID 18890386
2-(4-tert-butylphenyl)-4-(4-ethylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890403
1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826265
5-(4-benzylpiperidin-1-yl)-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18825385
2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18826769

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18839593) is 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole is COc1ccc(Cc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C)CC3)o2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is QXEFHKXDBFIGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4S/c1-16-11-13-26(14-12-16)23-22(31(27,28)20-9-5-18(24)6-10-20)25-21(30-23)15-17-3-7-19(29-2)8-4-17/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 460.98 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18839593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).