N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C20H18ClFN2O3S — CID 20860393

IUPACN-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClFN2O3S/c1-13-18(24-20(27-13)16-4-2-3-5-17(16)22)11-28(26)12-19(25)23-10-14-6-8-15(21)9-7-14/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyJFSKHLATCLHFAY-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.01
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 20860393) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID20860393
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClFN2O3S/c1-13-18(24-20(27-13)16-4-2-3-5-17(16)22)11-28(26)12-19(25)23-10-14-6-8-15(21)9-7-14/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyJFSKHLATCLHFAY-UHFFFAOYSA-N
XLogP4.01
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide 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)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 20860393) is N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is JFSKHLATCLHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-13-18(24-20(27-13)16-4-2-3-5-17(16)22)11-28(26)12-19(25)23-10-14-6-8-15(21)9-7-14/h2-9H,10-12H2,1H3,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 420.89 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 20860393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).