3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide

C20H20N2O4S — CID 1040629

IUPAC3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)S(=O)(=O)c1ccccc1-c1noc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C20H20N2O4S/c1-20(2,3)27(24,25)15-12-8-7-11-14(15)17-16(19(21)23)18(26-22-17)13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,21,23)
InChIKeyZRIJBIWHFQAXID-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.68
Rot. Bonds4

About 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide

3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1040629) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1040629
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)(C)S(=O)(=O)c1ccccc1-c1noc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C20H20N2O4S/c1-20(2,3)27(24,25)15-12-8-7-11-14(15)17-16(19(21)23)18(26-22-17)13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,21,23)
InChIKeyZRIJBIWHFQAXID-UHFFFAOYSA-N
XLogP3.68
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide (CID 1040629) is 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide is CC(C)(C)S(=O)(=O)c1ccccc1-c1noc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZRIJBIWHFQAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-20(2,3)27(24,25)15-12-8-7-11-14(15)17-16(19(21)23)18(26-22-17)13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,21,23).
What are the key properties of 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide?
3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfonylphenyl)-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1040629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).