[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H18N2O4 — CID 2614419

IUPAC[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H18N2O4/c1-13-7-6-10-16(11-13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyZLRFWZHGTGOUDE-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.75
Rot. Bonds5

About [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614419) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614419
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H18N2O4/c1-13-7-6-10-16(11-13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyZLRFWZHGTGOUDE-UHFFFAOYSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
[2-(4-Carbamoylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2570326
[1-(N-methylanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 6915644
[2-(3-Methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660567
(2-Benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660698
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16306830
N-(3-acetamidophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 649749
Methyl 3-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonylamino)benzoate
CID 850474
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2083748
N-(3-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2084184

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614419) is [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZLRFWZHGTGOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-7-6-10-16(11-13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).