ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate

C19H24N4O4 — CID 70747823

IUPACethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C19H24N4O4/c1-4-26-18(24)13-8-5-6-9-14(13)20-19(25)23-11-7-10-15(23)17-21-16(12(2)3)22-27-17/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3,(H,20,25)
InChIKeyIPYYBGNPNWMMQL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.74
Rot. Bonds5

About ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate

ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (PubChem CID 70747823) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
PubChem CID70747823
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C19H24N4O4/c1-4-26-18(24)13-8-5-6-9-14(13)20-19(25)23-11-7-10-15(23)17-21-16(12(2)3)22-27-17/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3,(H,20,25)
InChIKeyIPYYBGNPNWMMQL-UHFFFAOYSA-N
XLogP3.74
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 118785053
N-(2-methylbenzotriazol-4-yl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119060735
(2S)-N-(2-acetylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 162668964
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
(2R)-N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7416330
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
(2R)-N-(2-ethoxyphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079939
(2S)-N-(2-ethoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057927
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
(2R)-N-(2-ethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079965
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
(2R)-N-(2-methoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate (CID 70747823) is ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)N1CCCC1c1nc(C(C)C)no1.
What is the InChIKey of ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
The InChIKey is IPYYBGNPNWMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-26-18(24)13-8-5-6-9-14(13)20-19(25)23-11-7-10-15(23)17-21-16(12(2)3)22-27-17/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3,(H,20,25).
What are the key properties of ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate?
ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate has a molecular weight of 372.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 70747823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).