[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C19H21N3O5 — CID 2998830

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C19H21N3O5/c1-3-13-4-6-15(7-5-13)22-10-14(9-18(22)24)19(25)26-11-17(23)20-16-8-12(2)27-21-16/h4-8,14H,3,9-11H2,1-2H3,(H,20,21,23)
InChIKeySBCCHSDTXZLVBV-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.08
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 2998830) 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-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID2998830
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1
InChIInChI=1S/C19H21N3O5/c1-3-13-4-6-15(7-5-13)22-10-14(9-18(22)24)19(25)26-11-17(23)20-16-8-12(2)27-21-16/h4-8,14H,3,9-11H2,1-2H3,(H,20,21,23)
InChIKeySBCCHSDTXZLVBV-UHFFFAOYSA-N
XLogP2.08
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
5-Oxo-1-phenyl-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164236
N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 647551
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 24980900
1-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160079
1-(2,3-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160110
1-(2,4-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 3160139
N-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160142
N-[(2-Methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-N-o-tolyl-succinamide
CID 651112
1-(4-Bromo-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164240
N-(4-Isopropyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 3210807
N-(5-Methyl-isoxazol-3-yl)-N'-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N'-p-tolyl-succinamide
CID 3210824

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 2998830) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2CC(C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SBCCHSDTXZLVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-13-4-6-15(7-5-13)22-10-14(9-18(22)24)19(25)26-11-17(23)20-16-8-12(2)27-21-16/h4-8,14H,3,9-11H2,1-2H3,(H,20,21,23).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 2.08, 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-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 2998830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).