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

C19H12ClFN2O4S — CID 18826417

IUPACN-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN2O4S/c20-12-3-7-14(8-4-12)22-18-19(23-17(27-18)16-2-1-11-26-16)28(24,25)15-9-5-13(21)6-10-15/h1-11,22H
InChIKeyOCNQDJZGZANBRN-UHFFFAOYSA-N
MW418.83 g/mol
LogP5.30
Rot. Bonds5

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

N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (PubChem CID 18826417) has the molecular formula C19H12ClFN2O4S and a molecular weight of 418.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
PubChem CID18826417
Molecular FormulaC19H12ClFN2O4S
Molecular Weight418.83 g/mol
Exact Mass418.02
IUPAC NameN-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H12ClFN2O4S/c20-12-3-7-14(8-4-12)22-18-19(23-17(27-18)16-2-1-11-26-16)28(24,25)15-9-5-13(21)6-10-15/h1-11,22H
InChIKeyOCNQDJZGZANBRN-UHFFFAOYSA-N
XLogP5.30
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-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-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine (CID 18826417) is N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
The InChIKey is OCNQDJZGZANBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O4S/c20-12-3-7-14(8-4-12)22-18-19(23-17(27-18)16-2-1-11-26-16)28(24,25)15-9-5-13(21)6-10-15/h1-11,22H.
What are the key properties of N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine?
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine has a molecular weight of 418.83 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 18826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).