[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C23H23N3O6 — CID 27323769

IUPAC[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O6/c1-3-30-18-11-9-17(10-12-18)22(28)24-14-20(27)31-21(16-7-5-4-6-8-16)23(29)25-19-13-15(2)32-26-19/h4-13,21H,3,14H2,1-2H3,(H,24,28)(H,25,26,29)/t21-/m0/s1
InChIKeySTFZCAKHRDSUMK-NRFANRHFSA-N
MW437.45 g/mol
LogP3.03
Rot. Bonds9

About [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 27323769) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID27323769
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O6/c1-3-30-18-11-9-17(10-12-18)22(28)24-14-20(27)31-21(16-7-5-4-6-8-16)23(29)25-19-13-15(2)32-26-19/h4-13,21H,3,14H2,1-2H3,(H,24,28)(H,25,26,29)/t21-/m0/s1
InChIKeySTFZCAKHRDSUMK-NRFANRHFSA-N
XLogP3.03
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55561853
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
CID 55450290
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55702175
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 27323769) is [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is STFZCAKHRDSUMK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-30-18-11-9-17(10-12-18)22(28)24-14-20(27)31-21(16-7-5-4-6-8-16)23(29)25-19-13-15(2)32-26-19/h4-13,21H,3,14H2,1-2H3,(H,24,28)(H,25,26,29)/t21-/m0/s1.
What are the key properties of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 437.45 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 27323769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).