1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate

C13H16N2O4 — CID 55544641

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H16N2O4/c1-8(18-11(16)9-6-5-7-17-9)10-14-12(15-19-10)13(2,3)4/h5-8H,1-4H3
InChIKeyNWJRMQIIZAKIEJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate (PubChem CID 55544641) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate
PubChem CID55544641
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C13H16N2O4/c1-8(18-11(16)9-6-5-7-17-9)10-14-12(15-19-10)13(2,3)4/h5-8H,1-4H3
InChIKeyNWJRMQIIZAKIEJ-UHFFFAOYSA-N
XLogP2.88
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate (CID 55544641) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate is CC(OC(=O)c1ccco1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate?
The InChIKey is NWJRMQIIZAKIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(18-11(16)9-6-5-7-17-9)10-14-12(15-19-10)13(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl furan-2-carboxylate is sourced from PubChem (CID 55544641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).