[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C20H18N2O5 — CID 2480772

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18N2O5/c1-13-19(14(2)27-22-13)20(24)25-12-18(23)21-16-10-6-7-11-17(16)26-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyHYWKBVDVMSFWEO-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.88
Rot. Bonds6

About [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2480772) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2480772
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18N2O5/c1-13-19(14(2)27-22-13)20(24)25-12-18(23)21-16-10-6-7-11-17(16)26-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyHYWKBVDVMSFWEO-UHFFFAOYSA-N
XLogP3.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681597
[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-(3-Methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614419
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2998209
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4801474
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550177
3-methyl-N-(4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17438333

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2480772) is [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is HYWKBVDVMSFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-13-19(14(2)27-22-13)20(24)25-12-18(23)21-16-10-6-7-11-17(16)26-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2480772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).