3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide

C20H19ClN2O5S — CID 87973590

IUPAC3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O5S/c1-23(25)18(24)12-11-17-22-19(13-5-9-16(10-6-13)29(2,26)27)20(28-17)14-3-7-15(21)8-4-14/h3-10,25H,11-12H2,1-2H3
InChIKeyPUOGGOCYKAJISW-UHFFFAOYSA-N
MW434.90 g/mol
LogP3.85
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide

3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide (PubChem CID 87973590) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
PubChem CID87973590
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC Name3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H19ClN2O5S/c1-23(25)18(24)12-11-17-22-19(13-5-9-16(10-6-13)29(2,26)27)20(28-17)14-3-7-15(21)8-4-14/h3-10,25H,11-12H2,1-2H3
InChIKeyPUOGGOCYKAJISW-UHFFFAOYSA-N
XLogP3.85
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide (CID 87973590) is 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide is CN(O)C(=O)CCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide?
The InChIKey is PUOGGOCYKAJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c1-23(25)18(24)12-11-17-22-19(13-5-9-16(10-6-13)29(2,26)27)20(28-17)14-3-7-15(21)8-4-14/h3-10,25H,11-12H2,1-2H3.
What are the key properties of 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide?
3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide has a molecular weight of 434.90 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 87973590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).