ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate

C19H26N4O4 — CID 70726552

IUPACethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCCC2c2nc(C(C)C)no2)c1C
InChIInChI=1S/C19H26N4O4/c1-6-26-19(25)15-11(4)14(12(5)20-15)18(24)23-9-7-8-13(23)17-21-16(10(2)3)22-27-17/h10,13,20H,6-9H2,1-5H3
InChIKeyWEHFUXLDRYZHPU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.29
Rot. Bonds5

About ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate (PubChem CID 70726552) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate
PubChem CID70726552
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)N2CCCC2c2nc(C(C)C)no2)c1C
InChIInChI=1S/C19H26N4O4/c1-6-26-19(25)15-11(4)14(12(5)20-15)18(24)23-9-7-8-13(23)17-21-16(10(2)3)22-27-17/h10,13,20H,6-9H2,1-5H3
InChIKeyWEHFUXLDRYZHPU-UHFFFAOYSA-N
XLogP3.29
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 49218790
ethyl 3,5-dimethyl-4-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-1H-pyrrole-2-carboxylate
CID 71703178
4-O-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 4845544
2,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbaldehyde
CID 137014715
(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7503969
2-O-ethyl 4-O-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 25617228
ethyl 4-({isopropyl[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino}carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 28395201
ethyl 2,4-dimethyl-5-[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 30890839
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 31419544
[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 34960793
[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 34960798
4-O-ethyl 2-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 36305086

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate (CID 70726552) is ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCC2c2nc(C(C)C)no2)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate?
The InChIKey is WEHFUXLDRYZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-6-26-19(25)15-11(4)14(12(5)20-15)18(24)23-9-7-8-13(23)17-21-16(10(2)3)22-27-17/h10,13,20H,6-9H2,1-5H3.
What are the key properties of ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate?
ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 70726552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).