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

C22H22N2O4 — CID 7726552

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(17-9-5-3-6-10-17)13-23-19(25)14-27-22(26)20-16(2)28-21(24-20)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyLGHOMBQQBJGVBB-HNNXBMFYSA-N
MW378.43 g/mol
LogP3.73
Rot. Bonds7

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

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 7726552) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID7726552
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15(17-9-5-3-6-10-17)13-23-19(25)14-27-22(26)20-16(2)28-21(24-20)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyLGHOMBQQBJGVBB-HNNXBMFYSA-N
XLogP3.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 7726552) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is LGHOMBQQBJGVBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(17-9-5-3-6-10-17)13-23-19(25)14-27-22(26)20-16(2)28-21(24-20)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7726552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).