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

C10H14N2O4 — CID 165484898

IUPACethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(COC2CCC2)n1
InChIInChI=1S/C10H14N2O4/c1-2-14-10(13)9-11-8(16-12-9)6-15-7-4-3-5-7/h7H,2-6H2,1H3
InChIKeyYCTPNULMLHSAGU-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.32
Rot. Bonds5

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

ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 165484898) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID165484898
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(COC2CCC2)n1
InChIInChI=1S/C10H14N2O4/c1-2-14-10(13)9-11-8(16-12-9)6-15-7-4-3-5-7/h7H,2-6H2,1H3
InChIKeyYCTPNULMLHSAGU-UHFFFAOYSA-N
XLogP1.32
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[2-(cyclopropylamino)ethyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631568
ethyl 5-cyclopentyl-1,2,4-oxadiazole-3-carboxylate
CID 63379547
ethyl 5-cyclooctyl-1,2,4-oxadiazole-3-carboxylate
CID 65020758
ethyl 5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631472
ethyl 5-(2-methoxyethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379498
ethyl 5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379501
ethyl 5-[[1-(aminomethyl)cyclobutyl]methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631523
ethyl 5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631734
ethyl 5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631496
ethyl 5-(propylaminomethyl)-1,2,4-oxadiazole-3-carboxylate
CID 112631652
ethyl 5-(2-cyanoethyl)-1,2,4-oxadiazole-3-carboxylate
CID 106526587
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-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate (CID 165484898) is ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(COC2CCC2)n1.
What is the InChIKey of ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is YCTPNULMLHSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-14-10(13)9-11-8(16-12-9)6-15-7-4-3-5-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutyloxymethyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 165484898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).