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

C16H18N2O4 — CID 7660567

IUPAC[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C16H18N2O4/c1-4-13-15(11(3)22-18-13)16(20)21-9-14(19)17-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyBLEQYQUJVJIGBR-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.65
Rot. Bonds5

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

[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660567) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660567
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C16H18N2O4/c1-4-13-15(11(3)22-18-13)16(20)21-9-14(19)17-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyBLEQYQUJVJIGBR-UHFFFAOYSA-N
XLogP2.65
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2435899
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539938
[2-(4-Carbamoylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2570326
[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-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531004
(2-Benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660698
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8098793
N-(3-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 9504166
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16306830
[2-(Benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2416796
5-ethyl-3-methyl-N-(4-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 2559070

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660567) is [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is BLEQYQUJVJIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-13-15(11(3)22-18-13)16(20)21-9-14(19)17-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,17,19).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(3-methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.65, 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] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).