4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide

C24H26Cl2F2N4O4S — CID 135181524

IUPAC4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(C)(F)F)C2)ccc1C(=O)NC1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C24H26Cl2F2N4O4S/c1-14-7-15(5-6-20(14)22(33)29-19-12-32(13-19)37(34,35)31(3)4)21-11-24(36-30-21,23(2,27)28)16-8-17(25)10-18(26)9-16/h5-10,19H,11-13H2,1-4H3,(H,29,33)
InChIKeyQBNZBOADAYWUJC-UHFFFAOYSA-N
MW575.47 g/mol
LogP4.20
Rot. Bonds7

About 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide

4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide (PubChem CID 135181524) has the molecular formula C24H26Cl2F2N4O4S and a molecular weight of 575.47 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide
PubChem CID135181524
Molecular FormulaC24H26Cl2F2N4O4S
Molecular Weight575.47 g/mol
Exact Mass574.10
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(C)(F)F)C2)ccc1C(=O)NC1CN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C24H26Cl2F2N4O4S/c1-14-7-15(5-6-20(14)22(33)29-19-12-32(13-19)37(34,35)31(3)4)21-11-24(36-30-21,23(2,27)28)16-8-17(25)10-18(26)9-16/h5-10,19H,11-13H2,1-4H3,(H,29,33)
InChIKeyQBNZBOADAYWUJC-UHFFFAOYSA-N
XLogP4.20
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide (CID 135181524) is 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(C)(F)F)C2)ccc1C(=O)NC1CN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide?
The InChIKey is QBNZBOADAYWUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F2N4O4S/c1-14-7-15(5-6-20(14)22(33)29-19-12-32(13-19)37(34,35)31(3)4)21-11-24(36-30-21,23(2,27)28)16-8-17(25)10-18(26)9-16/h5-10,19H,11-13H2,1-4H3,(H,29,33).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide?
4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide has a molecular weight of 575.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(1,1-difluoroethyl)-4H-1,2-oxazol-3-yl]-N-[1-(dimethylsulfamoyl)azetidin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 135181524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).