N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine

C22H16ClFN2O3S — CID 4202769

IUPACN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1NCc1ccccc1
InChIInChI=1S/C22H16ClFN2O3S/c23-16-10-12-17(13-11-16)30(27,28)22-21(25-14-15-6-2-1-3-7-15)29-20(26-22)18-8-4-5-9-19(18)24/h1-13,25H,14H2
InChIKeyLUCBLAAMDMJATQ-UHFFFAOYSA-N
MW442.90 g/mol
LogP5.58
Rot. Bonds6

About N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine

N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine (PubChem CID 4202769) has the molecular formula C22H16ClFN2O3S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
PubChem CID4202769
Molecular FormulaC22H16ClFN2O3S
Molecular Weight442.90 g/mol
Exact Mass442.06
IUPAC NameN-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1NCc1ccccc1
InChIInChI=1S/C22H16ClFN2O3S/c23-16-10-12-17(13-11-16)30(27,28)22-21(25-14-15-6-2-1-3-7-15)29-20(26-22)18-8-4-5-9-19(18)24/h1-13,25H,14H2
InChIKeyLUCBLAAMDMJATQ-UHFFFAOYSA-N
XLogP5.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine 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 N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine (CID 4202769) is N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
The InChIKey is LUCBLAAMDMJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3S/c23-16-10-12-17(13-11-16)30(27,28)22-21(25-14-15-6-2-1-3-7-15)29-20(26-22)18-8-4-5-9-19(18)24/h1-13,25H,14H2.
What are the key properties of N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine?
N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine has a molecular weight of 442.90 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 4202769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).