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

C10H14N2O3 — CID 104538328

IUPACethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCC2)o1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)9-12-11-8(15-9)6-7-4-3-5-7/h7H,2-6H2,1H3
InChIKeyMSHRYNIFZFZIDV-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.59
Rot. Bonds4

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

ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 104538328) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID104538328
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(CC2CCC2)o1
InChIInChI=1S/C10H14N2O3/c1-2-14-10(13)9-12-11-8(15-9)6-7-4-3-5-7/h7H,2-6H2,1H3
InChIKeyMSHRYNIFZFZIDV-UHFFFAOYSA-N
XLogP1.59
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate (CID 104538328) is ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(CC2CCC2)o1.
What is the InChIKey of ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is MSHRYNIFZFZIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-14-10(13)9-12-11-8(15-9)6-7-4-3-5-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutylmethyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 104538328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).