4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole

C19H19NO5S2 — CID 167344228

IUPAC4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole
SMILESCCCS(=O)(=O)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO5S2/c1-3-13-26(21,22)19-18(20-17(25-19)15-7-5-4-6-8-15)27(23,24)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyQUUZJJWGYYDMTC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.67
Rot. Bonds6

About 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole

4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole (PubChem CID 167344228) has the molecular formula C19H19NO5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole
PubChem CID167344228
Molecular FormulaC19H19NO5S2
Molecular Weight405.50 g/mol
Exact Mass405.07
IUPAC Name4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole
SMILESCCCS(=O)(=O)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO5S2/c1-3-13-26(21,22)19-18(20-17(25-19)15-7-5-4-6-8-15)27(23,24)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3
InChIKeyQUUZJJWGYYDMTC-UHFFFAOYSA-N
XLogP3.67
TPSA94.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole (CID 167344228) is 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole is CCCS(=O)(=O)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole?
The InChIKey is QUUZJJWGYYDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S2/c1-3-13-26(21,22)19-18(20-17(25-19)15-7-5-4-6-8-15)27(23,24)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole?
4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole has a molecular weight of 405.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-phenyl-5-propylsulfonyl-1,3-oxazole is sourced from PubChem (CID 167344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).