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

C19H17ClN2O3 — CID 16600031

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-6-7-15(16(23)10-12)22-18(24)8-9-19-21-11-17(25-19)13-4-2-3-5-14(13)20/h2-7,10-11,23H,8-9H2,1H3,(H,22,24)
InChIKeyKRZUCOZRLNBZQB-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.58
Rot. Bonds5

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 16600031) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID16600031
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(O)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-6-7-15(16(23)10-12)22-18(24)8-9-19-21-11-17(25-19)13-4-2-3-5-14(13)20/h2-7,10-11,23H,8-9H2,1H3,(H,22,24)
InChIKeyKRZUCOZRLNBZQB-UHFFFAOYSA-N
XLogP4.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 41328384
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16596029
N-benzyl-2-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 24676617
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 55991548
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylpropanamide
CID 18135458
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 55500513
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
N-(2-benzylpyrazol-3-yl)-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29492909

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide (CID 16600031) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(O)c1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is KRZUCOZRLNBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-6-7-15(16(23)10-12)22-18(24)8-9-19-21-11-17(25-19)13-4-2-3-5-14(13)20/h2-7,10-11,23H,8-9H2,1H3,(H,22,24).
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 16600031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).