ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate

C19H19N3O5 — CID 7555934

IUPACethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H19N3O5/c1-4-25-19(24)17-12(3)21-11(2)16(17)15(23)9-26-14-7-5-13(6-8-14)18-22-20-10-27-18/h5-8,10,21H,4,9H2,1-3H3
InChIKeyRDCBGBPZEVEINJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.12
Rot. Bonds7

About ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate

ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate (PubChem CID 7555934) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
PubChem CID7555934
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Nameethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H19N3O5/c1-4-25-19(24)17-12(3)21-11(2)16(17)15(23)9-26-14-7-5-13(6-8-14)18-22-20-10-27-18/h5-8,10,21H,4,9H2,1-3H3
InChIKeyRDCBGBPZEVEINJ-UHFFFAOYSA-N
XLogP3.12
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate 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-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
ethyl 6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]pyridine-3-carboxylate
CID 31535631
N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
ethyl 2,5-dimethyl-4-[2-(3-nitrophenoxy)acetyl]-1H-pyrrole-3-carboxylate
CID 7864989
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8528159
ethyl 4-[2-[2-(3,5-dimethylphenoxy)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7853669
methyl 5-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]thiophene-2-carboxylate
CID 75425917
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8888706
N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
ethyl 4-(2-benzoyloxyacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7514865

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate (CID 7555934) is ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate?
The InChIKey is RDCBGBPZEVEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-25-19(24)17-12(3)21-11(2)16(17)15(23)9-26-14-7-5-13(6-8-14)18-22-20-10-27-18/h5-8,10,21H,4,9H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 7555934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).