ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate

C10H15N3O4 — CID 112631467

IUPACethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC(OC)CN2)n1
InChIInChI=1S/C10H15N3O4/c1-3-16-10(14)8-12-9(17-13-8)7-4-6(15-2)5-11-7/h6-7,11H,3-5H2,1-2H3
InChIKeyOXJROJXXQZHTHF-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.30
Rot. Bonds4

About ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 112631467) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID112631467
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Nameethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC(OC)CN2)n1
InChIInChI=1S/C10H15N3O4/c1-3-16-10(14)8-12-9(17-13-8)7-4-6(15-2)5-11-7/h6-7,11H,3-5H2,1-2H3
InChIKeyOXJROJXXQZHTHF-UHFFFAOYSA-N
XLogP0.30
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631759
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682
ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107002989
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
5-(4-methoxypyrrolidin-2-yl)-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 65130222
3-(4-ethylphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104971418
5-(4-methoxypyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82008218
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452
ethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 115970564
3-(1-ethoxycyclohexyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116741896

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate (CID 112631467) is ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CC(OC)CN2)n1.
What is the InChIKey of ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is OXJROJXXQZHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-16-10(14)8-12-9(17-13-8)7-4-6(15-2)5-11-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 112631467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).