[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

C19H19N3O4 — CID 30656762

IUPAC[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
SMILESCc1noc(-c2ccc(C(=O)OCC(=O)c3cc(C)n(C)c3C)cc2)n1
InChIInChI=1S/C19H19N3O4/c1-11-9-16(12(2)22(11)4)17(23)10-25-19(24)15-7-5-14(6-8-15)18-20-13(3)21-26-18/h5-9H,10H2,1-4H3
InChIKeyHLZYCUMRWDFHNL-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.04
Rot. Bonds5

About [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate (PubChem CID 30656762) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
PubChem CID30656762
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
SMILESCc1noc(-c2ccc(C(=O)OCC(=O)c3cc(C)n(C)c3C)cc2)n1
InChIInChI=1S/C19H19N3O4/c1-11-9-16(12(2)22(11)4)17(23)10-25-19(24)15-7-5-14(6-8-15)18-20-13(3)21-26-18/h5-9H,10H2,1-4H3
InChIKeyHLZYCUMRWDFHNL-UHFFFAOYSA-N
XLogP3.04
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 2479945
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-amino-3-nitrobenzoate
CID 4240647
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 7377040
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate
CID 2648892
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824842
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846678
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2082968
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 55530941
ethyl 4-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzoate
CID 110653957
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128452

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The IUPAC name of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate (CID 30656762) is [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The canonical SMILES for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is Cc1noc(-c2ccc(C(=O)OCC(=O)c3cc(C)n(C)c3C)cc2)n1.
What is the InChIKey of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
The InChIKey is HLZYCUMRWDFHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-9-16(12(2)22(11)4)17(23)10-25-19(24)15-7-5-14(6-8-15)18-20-13(3)21-26-18/h5-9H,10H2,1-4H3.
What are the key properties of [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate?
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate has a molecular weight of 353.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate is sourced from PubChem (CID 30656762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).