N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C23H23ClFN3O4S — CID 16595984

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H23ClFN3O4S/c24-19-9-8-18(14-21(19)33(30,31)28-12-2-1-3-13-28)27-22(29)10-11-23-26-15-20(32-23)16-4-6-17(25)7-5-16/h4-9,14-15H,1-3,10-13H2,(H,27,29)
InChIKeyZPGJKBGMDAVVMX-UHFFFAOYSA-N
MW491.97 g/mol
LogP4.88
Rot. Bonds7

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16595984) has the molecular formula C23H23ClFN3O4S and a molecular weight of 491.97 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16595984
Molecular FormulaC23H23ClFN3O4S
Molecular Weight491.97 g/mol
Exact Mass491.11
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H23ClFN3O4S/c24-19-9-8-18(14-21(19)33(30,31)28-12-2-1-3-13-28)27-22(29)10-11-23-26-15-20(32-23)16-4-6-17(25)7-5-16/h4-9,14-15H,1-3,10-13H2,(H,27,29)
InChIKeyZPGJKBGMDAVVMX-UHFFFAOYSA-N
XLogP4.88
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.97
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide 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-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16595984) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is ZPGJKBGMDAVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4S/c24-19-9-8-18(14-21(19)33(30,31)28-12-2-1-3-13-28)27-22(29)10-11-23-26-15-20(32-23)16-4-6-17(25)7-5-16/h4-9,14-15H,1-3,10-13H2,(H,27,29).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 491.97 g/mol, XLogP of 4.88, 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-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16595984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).