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

C9H13N3O3 — CID 112631594

IUPACethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2(CN)CC2)n1
InChIInChI=1S/C9H13N3O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5,10H2,1H3
InChIKeyKPFXIRIFTFTGLC-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.24
Rot. Bonds4

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

ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 112631594) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID112631594
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2(CN)CC2)n1
InChIInChI=1S/C9H13N3O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5,10H2,1H3
InChIKeyKPFXIRIFTFTGLC-UHFFFAOYSA-N
XLogP0.24
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[4-(aminomethyl)oxan-4-yl]-1,2,4-oxadiazole-3-carboxylate
CID 112631526
ethyl 5-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631754
ethyl 5-(1,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 165485295
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
ethyl 5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107002989
ethyl 5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazole-3-carboxylate
CID 107183018
ethyl 5-(1-aminobutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631699
ethyl 5-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 167809603
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole-3-carboxylate
CID 95380682

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (CID 112631594) is ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2(CN)CC2)n1.
What is the InChIKey of ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is KPFXIRIFTFTGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-14-7(13)6-11-8(15-12-6)9(5-10)3-4-9/h2-5,10H2,1H3.
What are the key properties of ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(aminomethyl)cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 112631594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).