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

C23H26N2O4S — CID 18890227

IUPAC4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccc(C)cc3)oc2N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-4-6-18(7-5-16)21-24-22(23(29-21)25-14-12-17(2)13-15-25)30(26,27)20-10-8-19(28-3)9-11-20/h4-11,17H,12-15H2,1-3H3
InChIKeyVQCRANUETCGTTF-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.73
Rot. Bonds5

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

4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (PubChem CID 18890227) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
PubChem CID18890227
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
SMILESCOc1ccc(S(=O)(=O)c2nc(-c3ccc(C)cc3)oc2N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-16-4-6-18(7-5-16)21-24-22(23(29-21)25-14-12-17(2)13-15-25)30(26,27)20-10-8-19(28-3)9-11-20/h4-11,17H,12-15H2,1-3H3
InChIKeyVQCRANUETCGTTF-UHFFFAOYSA-N
XLogP4.73
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890246
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
4-(4-chlorophenyl)sulfonyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 18825490
2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18826769
2-(4-tert-butylphenyl)-4-(4-ethylphenyl)sulfonyl-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890403
5-(azepan-1-yl)-4-(4-ethoxyphenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazole
CID 18890536
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
CID 18824739
4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824804
5-(azepan-1-yl)-4-(4-ethylphenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18890366
4-(4-chlorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18839593
5-(3,5-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18825451
5-(4-benzylpiperidin-1-yl)-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18825385

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole (CID 18890227) is 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is COc1ccc(S(=O)(=O)c2nc(-c3ccc(C)cc3)oc2N2CCC(C)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
The InChIKey is VQCRANUETCGTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-16-4-6-18(7-5-16)21-24-22(23(29-21)25-14-12-17(2)13-15-25)30(26,27)20-10-8-19(28-3)9-11-20/h4-11,17H,12-15H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole?
4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole has a molecular weight of 426.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole is sourced from PubChem (CID 18890227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).