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

C17H13FN2O3 — CID 44590414

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole
SMILESFc1cccc(COc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C17H13FN2O3/c18-14-3-1-2-11(8-14)10-22-17-20-19-16(23-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2
InChIKeyDFSAOYFIWPLXTH-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.39
Rot. Bonds4

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

2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole (PubChem CID 44590414) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole
PubChem CID44590414
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole
SMILESFc1cccc(COc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C17H13FN2O3/c18-14-3-1-2-11(8-14)10-22-17-20-19-16(23-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2
InChIKeyDFSAOYFIWPLXTH-UHFFFAOYSA-N
XLogP3.39
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44590380
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CID 44590413
CID 44590413
CID 44590415
CID 44590415

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole (CID 44590414) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole is Fc1cccc(COc2nnc(-c3ccc4c(c3)CCO4)o2)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole?
The InChIKey is DFSAOYFIWPLXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-14-3-1-2-11(8-14)10-22-17-20-19-16(23-17)13-4-5-15-12(9-13)6-7-21-15/h1-5,8-9H,6-7,10H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole has a molecular weight of 312.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-[(3-fluorophenyl)methoxy]-1,3,4-oxadiazole is sourced from PubChem (CID 44590414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).