5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide

C21H22FN3O4S — CID 91954163

IUPAC5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C21H22FN3O4S/c1-14(2)12-23-30(27,28)13-15-4-3-5-18(10-15)24-21(26)19-11-20(29-25-19)16-6-8-17(22)9-7-16/h3-11,14,23H,12-13H2,1-2H3,(H,24,26)
InChIKeyWXIRBSCBESFBFJ-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.81
Rot. Bonds8

About 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 91954163) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID91954163
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC Name5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C21H22FN3O4S/c1-14(2)12-23-30(27,28)13-15-4-3-5-18(10-15)24-21(26)19-11-20(29-25-19)16-6-8-17(22)9-7-16/h3-11,14,23H,12-13H2,1-2H3,(H,24,26)
InChIKeyWXIRBSCBESFBFJ-UHFFFAOYSA-N
XLogP3.81
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 91954163) is 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide is CC(C)CNS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WXIRBSCBESFBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-14(2)12-23-30(27,28)13-15-4-3-5-18(10-15)24-21(26)19-11-20(29-25-19)16-6-8-17(22)9-7-16/h3-11,14,23H,12-13H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91954163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).