methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate

C20H17ClN2O4 — CID 110424245

IUPACmethyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3Cl)oc2C)cc1
InChIInChI=1S/C20H17ClN2O4/c1-12-17(23-19(27-12)15-5-3-4-6-16(15)21)11-18(24)22-14-9-7-13(8-10-14)20(25)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyQAOKYUBLYIZEKF-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.27
Rot. Bonds5

About methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate

methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate (PubChem CID 110424245) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
PubChem CID110424245
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Namemethyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3Cl)oc2C)cc1
InChIInChI=1S/C20H17ClN2O4/c1-12-17(23-19(27-12)15-5-3-4-6-16(15)21)11-18(24)22-14-9-7-13(8-10-14)20(25)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyQAOKYUBLYIZEKF-UHFFFAOYSA-N
XLogP4.27
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 110673678
methyl 3-[[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110424102
methyl 4-[[2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate
CID 110356115
methyl 4-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334549
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 110428440
methyl 4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110650660
N-[4-(dimethylamino)phenyl]-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110424650
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
N-(3,4-dimethoxyphenyl)-2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356063
methyl 2-[[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoyl]amino]acetate
CID 46552527

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate (CID 110424245) is methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2nc(-c3ccccc3Cl)oc2C)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate?
The InChIKey is QAOKYUBLYIZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-12-17(23-19(27-12)15-5-3-4-6-16(15)21)11-18(24)22-14-9-7-13(8-10-14)20(25)26-2/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate?
methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate has a molecular weight of 384.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 110424245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).