[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C23H22N2O5 — CID 7727492

IUPAC[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H22N2O5/c1-15(26)19(13-17-9-5-3-6-10-17)24-20(27)14-29-23(28)21-16(2)30-22(25-21)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyDFZHQWIOGBELLJ-LJQANCHMSA-N
MW406.44 g/mol
LogP3.12
Rot. Bonds8

About [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 7727492) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID7727492
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C
InChIInChI=1S/C23H22N2O5/c1-15(26)19(13-17-9-5-3-6-10-17)24-20(27)14-29-23(28)21-16(2)30-22(25-21)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyDFZHQWIOGBELLJ-LJQANCHMSA-N
XLogP3.12
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727490
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[2-(4-acetylanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727457
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726592
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550418
[2-(3-methylbutylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2665390
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726552
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
[2-oxo-2-(2-phenylanilino)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726467
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675414
[2-(cyclopentylamino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727406

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 7727492) is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1nc(-c2ccccc2)oc1C.
What is the InChIKey of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is DFZHQWIOGBELLJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15(26)19(13-17-9-5-3-6-10-17)24-20(27)14-29-23(28)21-16(2)30-22(25-21)18-11-7-4-8-12-18/h3-12,19H,13-14H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7727492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).