2-(azonan-1-ylsulfonyl)-1,3-benzoxazole

C15H20N2O3S — CID 175303024

IUPAC2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
SMILESO=S(=O)(c1nc2ccccc2o1)N1CCCCCCCC1
InChIInChI=1S/C15H20N2O3S/c18-21(19,17-11-7-3-1-2-4-8-12-17)15-16-13-9-5-6-10-14(13)20-15/h5-6,9-10H,1-4,7-8,11-12H2
InChIKeyCOFRAVZJVBNCDT-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.17
Rot. Bonds2

About 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole

2-(azonan-1-ylsulfonyl)-1,3-benzoxazole (PubChem CID 175303024) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
PubChem CID175303024
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
SMILESO=S(=O)(c1nc2ccccc2o1)N1CCCCCCCC1
InChIInChI=1S/C15H20N2O3S/c18-21(19,17-11-7-3-1-2-4-8-12-17)15-16-13-9-5-6-10-14(13)20-15/h5-6,9-10H,1-4,7-8,11-12H2
InChIKeyCOFRAVZJVBNCDT-UHFFFAOYSA-N
XLogP3.17
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole?
The IUPAC name of 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole (CID 175303024) is 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole?
The canonical SMILES for 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole is O=S(=O)(c1nc2ccccc2o1)N1CCCCCCCC1.
What is the InChIKey of 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole?
The InChIKey is COFRAVZJVBNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-21(19,17-11-7-3-1-2-4-8-12-17)15-16-13-9-5-6-10-14(13)20-15/h5-6,9-10H,1-4,7-8,11-12H2.
What are the key properties of 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole?
2-(azonan-1-ylsulfonyl)-1,3-benzoxazole has a molecular weight of 308.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azonan-1-ylsulfonyl)-1,3-benzoxazole is sourced from PubChem (CID 175303024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).