1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate

C11H16N2O4 — CID 166200710

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate
SMILESCc1nnc(C(C)OC(=O)C2CCOCC2)o1
InChIInChI=1S/C11H16N2O4/c1-7(10-13-12-8(2)17-10)16-11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyGKTAFNRHVCJKNP-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.41
Rot. Bonds3

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate (PubChem CID 166200710) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate
PubChem CID166200710
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate
SMILESCc1nnc(C(C)OC(=O)C2CCOCC2)o1
InChIInChI=1S/C11H16N2O4/c1-7(10-13-12-8(2)17-10)16-11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyGKTAFNRHVCJKNP-UHFFFAOYSA-N
XLogP1.41
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate (CID 166200710) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate is Cc1nnc(C(C)OC(=O)C2CCOCC2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate?
The InChIKey is GKTAFNRHVCJKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(10-13-12-8(2)17-10)16-11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl oxane-4-carboxylate is sourced from PubChem (CID 166200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).