ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate

C19H24N2O5 — CID 66880488

IUPACethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C
InChIInChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyXGCZHIIBEWVBMA-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.89
Rot. Bonds8

About ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate

ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate (PubChem CID 66880488) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
PubChem CID66880488
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C
InChIInChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyXGCZHIIBEWVBMA-UHFFFAOYSA-N
XLogP2.89
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate with MolForge

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Related Compounds

ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)anilino]acetate
CID 66938475
2-[3-[bis(2-ethoxy-2-oxoethyl)amino]-4-methylphenyl]-1,3-thiazole-4-carboxylic acid
CID 66880463
4-[bis(2-ethoxy-2-oxoethyl)amino]-3-methylbenzoic acid
CID 66880547
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)anilino]acetate
CID 66881518
ethyl 2-[[(1S)-1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetate
CID 96541250
ethyl 5-(5-methyl-1,3-oxazol-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312454
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
4-ethoxy-3-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 86938322
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methanol
CID 67252704
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The IUPAC name of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate (CID 66880488) is ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate.
What is the SMILES notation for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The canonical SMILES for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate is CCOC(=O)CN(CC(=O)OCC)c1cc(-c2ncc(C)o2)ccc1C.
What is the InChIKey of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
The InChIKey is XGCZHIIBEWVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-24-17(22)11-21(12-18(23)25-6-2)16-9-15(8-7-13(16)3)19-20-10-14(4)26-19/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate?
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate has a molecular weight of 360.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3-oxazol-2-yl)anilino]acetate is sourced from PubChem (CID 66880488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).