5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

C17H14FN3O2 — CID 44590413

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-11(8-14)10-19-17-21-20-16(23-17)13-4-5-15-12(9-13)6-7-22-15/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyVCWXJYNTVAUYKL-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.42
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 44590413) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID44590413
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESFc1cccc(CNc2nnc(-c3ccc4c(c3)CCO4)o2)c1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-11(8-14)10-19-17-21-20-16(23-17)13-4-5-15-12(9-13)6-7-22-15/h1-5,8-9H,6-7,10H2,(H,19,21)
InChIKeyVCWXJYNTVAUYKL-UHFFFAOYSA-N
XLogP3.42
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazole
CID 44590380
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 146648736
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 146511999
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 162369050
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluorobenzyl)oxy]-1,3,4-oxadiazole
CID 44590414
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 4361989
4-isopropoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4258374
1-Butyl-3-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 2101504
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 4342166
N-(5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 4796947
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 7244069

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 44590413) is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is Fc1cccc(CNc2nnc(-c3ccc4c(c3)CCO4)o2)c1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VCWXJYNTVAUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-3-1-2-11(8-14)10-19-17-21-20-16(23-17)13-4-5-15-12(9-13)6-7-22-15/h1-5,8-9H,6-7,10H2,(H,19,21).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 311.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 44590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).