N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

C20H19FN2O5S — CID 53059894

IUPACN-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O5S/c1-13-11-18(28-23-13)14-3-8-17(27-2)19(12-14)29(25,26)10-9-20(24)22-16-6-4-15(21)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyIJNQJGIPYGCLKO-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.60
Rot. Bonds7

About N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (PubChem CID 53059894) has the molecular formula C20H19FN2O5S and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
PubChem CID53059894
Molecular FormulaC20H19FN2O5S
Molecular Weight418.45 g/mol
Exact Mass418.10
IUPAC NameN-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H19FN2O5S/c1-13-11-18(28-23-13)14-3-8-17(27-2)19(12-14)29(25,26)10-9-20(24)22-16-6-4-15(21)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyIJNQJGIPYGCLKO-UHFFFAOYSA-N
XLogP3.60
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
N-(3-methoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53005351
3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53059944
N-(2,5-dimethoxyphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059815
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
N-(3,5-dimethoxyphenyl)-3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonylpropanamide
CID 53059982
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
3-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methoxyphenyl]sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 53060009
3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53059766
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
CID 71371451
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (CID 53059894) is N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The InChIKey is IJNQJGIPYGCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5S/c1-13-11-18(28-23-13)14-3-8-17(27-2)19(12-14)29(25,26)10-9-20(24)22-16-6-4-15(21)5-7-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide has a molecular weight of 418.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53059894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).