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

C20H19ClFN3O4S — CID 55638766

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1Cl
InChIInChI=1S/C20H19ClFN3O4S/c1-3-25(4-2)30(27,28)19-11-13(9-10-15(19)21)23-20(26)17-12-18(29-24-17)14-7-5-6-8-16(14)22/h5-12H,3-4H2,1-2H3,(H,23,26)
InChIKeyOXMDDKDXSOIFIC-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.42
Rot. Bonds7

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

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 55638766) has the molecular formula C20H19ClFN3O4S and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID55638766
Molecular FormulaC20H19ClFN3O4S
Molecular Weight451.91 g/mol
Exact Mass451.08
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1Cl
InChIInChI=1S/C20H19ClFN3O4S/c1-3-25(4-2)30(27,28)19-11-13(9-10-15(19)21)23-20(26)17-12-18(29-24-17)14-7-5-6-8-16(14)22/h5-12H,3-4H2,1-2H3,(H,23,26)
InChIKeyOXMDDKDXSOIFIC-UHFFFAOYSA-N
XLogP4.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666411
5-(2-fluorophenyl)-N-phenyl-1,2-oxazole-3-carboxamide
CID 46480950
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55340898
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
2-chloro-N-[(2R)-1-[4-chloro-3-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 41153673
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 55638766) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OXMDDKDXSOIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O4S/c1-3-25(4-2)30(27,28)19-11-13(9-10-15(19)21)23-20(26)17-12-18(29-24-17)14-7-5-6-8-16(14)22/h5-12H,3-4H2,1-2H3,(H,23,26).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55638766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).