[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

C18H16FN3O2 — CID 95208721

IUPAC[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@@H](CN)C3)o1
InChIInChI=1S/C18H16FN3O2/c1-10-21-22-18(23-10)15-5-3-2-4-14(15)16-8-12(19)6-11-7-13(9-20)24-17(11)16/h2-6,8,13H,7,9,20H2,1H3/t13-/m1/s1
InChIKeyCLKJDAOYCANIQM-CYBMUJFWSA-N
MW325.34 g/mol
LogP3.11
Rot. Bonds3

About [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95208721) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95208721
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@@H](CN)C3)o1
InChIInChI=1S/C18H16FN3O2/c1-10-21-22-18(23-10)15-5-3-2-4-14(15)16-8-12(19)6-11-7-13(9-20)24-17(11)16/h2-6,8,13H,7,9,20H2,1H3/t13-/m1/s1
InChIKeyCLKJDAOYCANIQM-CYBMUJFWSA-N
XLogP3.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95208721) is [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@@H](CN)C3)o1.
What is the InChIKey of [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is CLKJDAOYCANIQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-10-21-22-18(23-10)15-5-3-2-4-14(15)16-8-12(19)6-11-7-13(9-20)24-17(11)16/h2-6,8,13H,7,9,20H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 325.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-fluoro-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95208721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).