(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H15ClN2O4 — CID 1022225

IUPAC(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C19H15ClN2O4/c1-11-17(18(22-26-11)15-5-3-4-6-16(15)20)19(24)25-14-9-7-13(8-10-14)21-12(2)23/h3-10H,1-2H3,(H,21,23)
InChIKeyXOOYCKIHTFYKTQ-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.48
Rot. Bonds4

About (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 1022225) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID1022225
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C19H15ClN2O4/c1-11-17(18(22-26-11)15-5-3-4-6-16(15)20)19(24)25-14-9-7-13(8-10-14)21-12(2)23/h3-10H,1-2H3,(H,21,23)
InChIKeyXOOYCKIHTFYKTQ-UHFFFAOYSA-N
XLogP4.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
3-(2,6-dichlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369060
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
(4-Butanoylphenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 5051524
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
CID 5524008
N4-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2729961
3-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 2769310
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 1022225) is (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is CC(=O)Nc1ccc(OC(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is XOOYCKIHTFYKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-11-17(18(22-26-11)15-5-3-4-6-16(15)20)19(24)25-14-9-7-13(8-10-14)21-12(2)23/h3-10H,1-2H3,(H,21,23).
What are the key properties of (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
(4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 1022225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).