ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate

C10H15N3O3 — CID 112631568

IUPACethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCNC2CC2)n1
InChIInChI=1S/C10H15N3O3/c1-2-15-10(14)9-12-8(16-13-9)5-6-11-7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyQOOGEJXMLCHHLU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.54
Rot. Bonds6

About ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 112631568) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID112631568
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCNC2CC2)n1
InChIInChI=1S/C10H15N3O3/c1-2-15-10(14)9-12-8(16-13-9)5-6-11-7-3-4-7/h7,11H,2-6H2,1H3
InChIKeyQOOGEJXMLCHHLU-UHFFFAOYSA-N
XLogP0.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxylate hydrochloride
CID 155820945
N-ethyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472539
N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472702
N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 103472780
N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103473080
N-[2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 103473134
N-[2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 104880604
Ethyl 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631588
ethyl 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazole-3-carboxylate
CID 10085323
Ethyl 5-(2-aminoethyl)-1,2,4-oxadiazole-3-carboxylate
CID 10419889
ethyl 5-[(1S)-1-aminoethyl]-1,2,4-oxadiazole-3-carboxylate
CID 11252406
Ethyl 5-(2-(tert-butoxycarbonylamino)ethyl)-1,2,4-oxadiazole-3-carboxylate
CID 11507493

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate (CID 112631568) is ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(CCNC2CC2)n1.
What is the InChIKey of ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is QOOGEJXMLCHHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-15-10(14)9-12-8(16-13-9)5-6-11-7-3-4-7/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 112631568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).