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

C17H15ClN4O2 — CID 95207647

IUPAC[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1noc(-c2ccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)nc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-21-17(24-22-9)10-2-3-15(20-8-10)14-6-12(18)4-11-5-13(7-19)23-16(11)14/h2-4,6,8,13H,5,7,19H2,1H3/t13-/m1/s1
InChIKeyALNBVAXXMLJSCC-CYBMUJFWSA-N
MW342.79 g/mol
LogP3.02
Rot. Bonds3

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

[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95207647) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95207647
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1noc(-c2ccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)nc2)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-21-17(24-22-9)10-2-3-15(20-8-10)14-6-12(18)4-11-5-13(7-19)23-16(11)14/h2-4,6,8,13H,5,7,19H2,1H3/t13-/m1/s1
InChIKeyALNBVAXXMLJSCC-CYBMUJFWSA-N
XLogP3.02
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95207647) is [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1noc(-c2ccc(-c3cc(Cl)cc4c3O[C@@H](CN)C4)nc2)n1.
What is the InChIKey of [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is ALNBVAXXMLJSCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-21-17(24-22-9)10-2-3-15(20-8-10)14-6-12(18)4-11-5-13(7-19)23-16(11)14/h2-4,6,8,13H,5,7,19H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 342.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95207647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).