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

C17H16N2O4 — CID 72918060

IUPAC5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2ccc(-c3nc(C4CCOC4)no3)o2)c1
InChIInChI=1S/C17H16N2O4/c1-20-13-4-2-3-11(9-13)14-5-6-15(22-14)17-18-16(19-23-17)12-7-8-21-10-12/h2-6,9,12H,7-8,10H2,1H3
InChIKeyLEKIQSYVMFLFEK-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.51
Rot. Bonds4

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

5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72918060) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72918060
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2ccc(-c3nc(C4CCOC4)no3)o2)c1
InChIInChI=1S/C17H16N2O4/c1-20-13-4-2-3-11(9-13)14-5-6-15(22-14)17-18-16(19-23-17)12-7-8-21-10-12/h2-6,9,12H,7-8,10H2,1H3
InChIKeyLEKIQSYVMFLFEK-UHFFFAOYSA-N
XLogP3.51
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72918060) is 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is COc1cccc(-c2ccc(-c3nc(C4CCOC4)no3)o2)c1.
What is the InChIKey of 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is LEKIQSYVMFLFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-13-4-2-3-11(9-13)14-5-6-15(22-14)17-18-16(19-23-17)12-7-8-21-10-12/h2-6,9,12H,7-8,10H2,1H3.
What are the key properties of 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methoxyphenyl)furan-2-yl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72918060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).