2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole

C18H15FN2O2 — CID 44590380

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
SMILESFc1cccc(CCc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C18H15FN2O2/c19-15-3-1-2-12(10-15)4-7-17-20-21-18(23-17)14-5-6-16-13(11-14)8-9-22-16/h1-3,5-6,10-11H,4,7-9H2
InChIKeyDKEWCPHMTAKKMQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.60
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole (PubChem CID 44590380) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
PubChem CID44590380
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
SMILESFc1cccc(CCc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C18H15FN2O2/c19-15-3-1-2-12(10-15)4-7-17-20-21-18(23-17)14-5-6-16-13(11-14)8-9-22-16/h1-3,5-6,10-11H,4,7-9H2
InChIKeyDKEWCPHMTAKKMQ-UHFFFAOYSA-N
XLogP3.60
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole (CID 44590380) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole is Fc1cccc(CCc2nnc(-c3ccc4c(c3)CCO4)o2)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is DKEWCPHMTAKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-3-1-2-12(10-15)4-7-17-20-21-18(23-17)14-5-6-16-13(11-14)8-9-22-16/h1-3,5-6,10-11H,4,7-9H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 310.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 44590380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).