[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate

C23H23N3O5 — CID 55450290

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
SMILESCc1cc(NC(=O)C(OC(=O)CC(C)NC(=O)c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H23N3O5/c1-15(24-22(28)18-11-7-4-8-12-18)13-20(27)30-21(17-9-5-3-6-10-17)23(29)25-19-14-16(2)31-26-19/h3-12,14-15,21H,13H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyQAJIVVBYKJESPO-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.41
Rot. Bonds8

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate (PubChem CID 55450290) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
PubChem CID55450290
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate
SMILESCc1cc(NC(=O)C(OC(=O)CC(C)NC(=O)c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H23N3O5/c1-15(24-22(28)18-11-7-4-8-12-18)13-20(27)30-21(17-9-5-3-6-10-17)23(29)25-19-14-16(2)31-26-19/h3-12,14-15,21H,13H2,1-2H3,(H,24,28)(H,25,26,29)
InChIKeyQAJIVVBYKJESPO-UHFFFAOYSA-N
XLogP3.41
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate 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

[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-benzamido-2-phenylacetate
CID 118256596
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51271024
[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
[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] 3,5-difluorobenzoate
CID 46644893
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16571886
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8636637

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate (CID 55450290) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate is Cc1cc(NC(=O)C(OC(=O)CC(C)NC(=O)c2ccccc2)c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate?
The InChIKey is QAJIVVBYKJESPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15(24-22(28)18-11-7-4-8-12-18)13-20(27)30-21(17-9-5-3-6-10-17)23(29)25-19-14-16(2)31-26-19/h3-12,14-15,21H,13H2,1-2H3,(H,24,28)(H,25,26,29).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate has a molecular weight of 421.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-benzamidobutanoate is sourced from PubChem (CID 55450290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).