3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide

C22H21ClFN3O5S — CID 24608355

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21ClFN3O5S/c23-17-4-2-1-3-16(17)19-14-25-22(32-19)8-7-21(28)26-15-5-6-18(24)20(13-15)33(29,30)27-9-11-31-12-10-27/h1-6,13-14H,7-12H2,(H,26,28)
InChIKeyIECFAXZFEHWXIP-UHFFFAOYSA-N
MW493.94 g/mol
LogP3.73
Rot. Bonds7

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 24608355) has the molecular formula C22H21ClFN3O5S and a molecular weight of 493.94 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID24608355
Molecular FormulaC22H21ClFN3O5S
Molecular Weight493.94 g/mol
Exact Mass493.09
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H21ClFN3O5S/c23-17-4-2-1-3-16(17)19-14-25-22(32-19)8-7-21(28)26-15-5-6-18(24)20(13-15)33(29,30)27-9-11-31-12-10-27/h1-6,13-14H,7-12H2,(H,26,28)
InChIKeyIECFAXZFEHWXIP-UHFFFAOYSA-N
XLogP3.73
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.94
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 24608355) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is IECFAXZFEHWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O5S/c23-17-4-2-1-3-16(17)19-14-25-22(32-19)8-7-21(28)26-15-5-6-18(24)20(13-15)33(29,30)27-9-11-31-12-10-27/h1-6,13-14H,7-12H2,(H,26,28).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 493.94 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24608355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).