3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole

C19H13N5O3 — CID 154834426

IUPAC3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCc3nc(-c4ccoc4)no3)n2)c2cccnc2c1
InChIInChI=1S/C19H13N5O3/c1-3-14(13-4-2-9-20-15(13)5-1)19-22-17(27-24-19)7-6-16-21-18(23-26-16)12-8-10-25-11-12/h1-5,8-11H,6-7H2
InChIKeyAGEJFMPLINUZGP-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.71
Rot. Bonds5

About 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole

3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 154834426) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
PubChem CID154834426
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CCc3nc(-c4ccoc4)no3)n2)c2cccnc2c1
InChIInChI=1S/C19H13N5O3/c1-3-14(13-4-2-9-20-15(13)5-1)19-22-17(27-24-19)7-6-16-21-18(23-26-16)12-8-10-25-11-12/h1-5,8-11H,6-7H2
InChIKeyAGEJFMPLINUZGP-UHFFFAOYSA-N
XLogP3.71
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole (CID 154834426) is 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole is c1cc(-c2noc(CCc3nc(-c4ccoc4)no3)n2)c2cccnc2c1.
What is the InChIKey of 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is AGEJFMPLINUZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3/c1-3-14(13-4-2-9-20-15(13)5-1)19-22-17(27-24-19)7-6-16-21-18(23-26-16)12-8-10-25-11-12/h1-5,8-11H,6-7H2.
What are the key properties of 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 359.35 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[2-(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154834426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).