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

C23H21N3O5 — CID 55449940

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cc(NC(=O)C(OC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)no1
InChIInChI=1S/C23H21N3O5/c1-15-13-19(25-31-15)24-22(28)21(16-7-3-2-4-8-16)30-23(29)17-9-5-10-18(14-17)26-12-6-11-20(26)27/h2-5,7-10,13-14,21H,6,11-12H2,1H3,(H,24,25,28)
InChIKeyIZNHPKUITQLEPL-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.65
Rot. Bonds6

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 55449940) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID55449940
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cc(NC(=O)C(OC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)no1
InChIInChI=1S/C23H21N3O5/c1-15-13-19(25-31-15)24-22(28)21(16-7-3-2-4-8-16)30-23(29)17-9-5-10-18(14-17)26-12-6-11-20(26)27/h2-5,7-10,13-14,21H,6,11-12H2,1H3,(H,24,25,28)
InChIKeyIZNHPKUITQLEPL-UHFFFAOYSA-N
XLogP3.65
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544960
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 24526812
[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] 3,5-dimethoxy-4-methylbenzoate
CID 46645148
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 51300296
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477230
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 55321502
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 110304934
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729105

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (CID 55449940) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is Cc1cc(NC(=O)C(OC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is IZNHPKUITQLEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15-13-19(25-31-15)24-22(28)21(16-7-3-2-4-8-16)30-23(29)17-9-5-10-18(14-17)26-12-6-11-20(26)27/h2-5,7-10,13-14,21H,6,11-12H2,1H3,(H,24,25,28).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 419.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 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-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 55449940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).