[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

C21H19N3O5 — CID 16596743

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccon1
InChIInChI=1S/C21H19N3O5/c25-19(23-18-11-12-29-24-18)14-28-21(27)17(13-15-7-3-1-4-8-15)22-20(26)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,26)(H,23,24,25)
InChIKeyCNABWPLIHTUYEX-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.20
Rot. Bonds8

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (PubChem CID 16596743) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
PubChem CID16596743
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate
SMILESO=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccon1
InChIInChI=1S/C21H19N3O5/c25-19(23-18-11-12-29-24-18)14-28-21(27)17(13-15-7-3-1-4-8-15)22-20(26)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,26)(H,23,24,25)
InChIKeyCNABWPLIHTUYEX-UHFFFAOYSA-N
XLogP2.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
[2-(ethylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582560
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2121472
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 2582572
[2-(3,4-diethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 51478485
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 9491599
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 7842645
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4621212
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2582585
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 3372467

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate (CID 16596743) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccon1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
The InChIKey is CNABWPLIHTUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-19(23-18-11-12-29-24-18)14-28-21(27)17(13-15-7-3-1-4-8-15)22-20(26)16-9-5-2-6-10-16/h1-12,17H,13-14H2,(H,22,26)(H,23,24,25).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate has a molecular weight of 393.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 16596743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).