2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole

C16H15N3O4S — CID 53175745

IUPAC2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCc4ccccc4C3)c2)o1
InChIInChI=1S/C16H15N3O4S/c1-11-17-18-16(23-11)14-8-15(22-10-14)24(20,21)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3
InChIKeyNOGSIBPYHOWMLW-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.39
Rot. Bonds3

About 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole

2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 53175745) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID53175745
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2coc(S(=O)(=O)N3CCc4ccccc4C3)c2)o1
InChIInChI=1S/C16H15N3O4S/c1-11-17-18-16(23-11)14-8-15(22-10-14)24(20,21)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3
InChIKeyNOGSIBPYHOWMLW-UHFFFAOYSA-N
XLogP2.39
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole (CID 53175745) is 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2coc(S(=O)(=O)N3CCc4ccccc4C3)c2)o1.
What is the InChIKey of 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NOGSIBPYHOWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-11-17-18-16(23-11)14-8-15(22-10-14)24(20,21)19-7-6-12-4-2-3-5-13(12)9-19/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 345.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)furan-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53175745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).