3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole

C15H16N4O4 — CID 72894379

IUPAC3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CCCc3nc(C4CCOC4)no3)n2)c1
InChIInChI=1S/C15H16N4O4/c1(4-12-16-14(18-22-12)10-6-8-20-9-10)5-13-17-15(19-23-13)11-3-2-7-21-11/h2-3,7,10H,1,4-6,8-9H2
InChIKeyVCAUNOWEALRDRJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.39
Rot. Bonds6

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

3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole (PubChem CID 72894379) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
PubChem CID72894379
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CCCc3nc(C4CCOC4)no3)n2)c1
InChIInChI=1S/C15H16N4O4/c1(4-12-16-14(18-22-12)10-6-8-20-9-10)5-13-17-15(19-23-13)11-3-2-7-21-11/h2-3,7,10H,1,4-6,8-9H2
InChIKeyVCAUNOWEALRDRJ-UHFFFAOYSA-N
XLogP2.39
TPSA100.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole (CID 72894379) is 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole is c1coc(-c2noc(CCCc3nc(C4CCOC4)no3)n2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole?
The InChIKey is VCAUNOWEALRDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1(4-12-16-14(18-22-12)10-6-8-20-9-10)5-13-17-15(19-23-13)11-3-2-7-21-11/h2-3,7,10H,1,4-6,8-9H2.
What are the key properties of 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole has a molecular weight of 316.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72894379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).