[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

C19H21N3O5 — CID 3164244

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C)c(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C19H21N3O5/c1-11-4-5-12(2)15(6-11)22-9-14(8-18(22)24)19(25)26-10-17(23)20-16-7-13(3)27-21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21,23)
InChIKeySLBNNFUHASRBPU-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.13
Rot. Bonds5

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3164244) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3164244
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1ccc(C)c(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1
InChIInChI=1S/C19H21N3O5/c1-11-4-5-12(2)15(6-11)22-9-14(8-18(22)24)19(25)26-10-17(23)20-16-7-13(3)27-21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21,23)
InChIKeySLBNNFUHASRBPU-UHFFFAOYSA-N
XLogP2.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871210
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7220375
1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160102
[2-(2,5-dimethylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126133656
ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1410943
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170517
[2-(4-ethylanilino)-2-oxoethyl] (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9170741
[2-(2,4-dimethylanilino)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4858273
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7302134
[2-(2,4-dimethylanilino)-2-oxoethyl] (3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1410884

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 3164244) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1ccc(C)c(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)c1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SLBNNFUHASRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11-4-5-12(2)15(6-11)22-9-14(8-18(22)24)19(25)26-10-17(23)20-16-7-13(3)27-21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21,23).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 2.13, 5 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-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3164244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).