ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate

C14H17N3O4 — CID 62026673

IUPACethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H17N3O4/c1-2-19-14(18)10-5-3-7-17(10)9-12-15-16-13(21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyGIPJKRLYIISEJX-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.86
Rot. Bonds5

About ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate

ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 62026673) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID62026673
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Nameethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C14H17N3O4/c1-2-19-14(18)10-5-3-7-17(10)9-12-15-16-13(21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyGIPJKRLYIISEJX-UHFFFAOYSA-N
XLogP1.86
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
2-[[2-(cyclohexylmethyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 48966203
2-(furan-2-yl)-5-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95750889
(3S)-3-ethyl-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-2-one
CID 136585921
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 95354195
2-(furan-2-yl)-5-[[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95899798
ethyl 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiomorpholine-3-carboxylate
CID 46405880
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
ethyl 1-[(5-nitrofuran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62028737

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate (CID 62026673) is ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1nnc(-c2ccco2)o1.
What is the InChIKey of ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is GIPJKRLYIISEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-19-14(18)10-5-3-7-17(10)9-12-15-16-13(21-12)11-6-4-8-20-11/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate?
ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62026673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).