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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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 125419022
1,3-benzoxazole-2-sulfonic acid;silver
CID 160787540
formamide;2-methylsulfonyl-1,3-benzoxazole
CID 67836610
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
CID 40782819
2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
N,N-dimethyl-1,3-benzoxazole-2-sulfonamide
CID 71369895
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
3-pyrrolidin-1-ylsulfonylchromen-2-one
CID 22424872
1,3-benzoxazol-2-ylmethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 9398340
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-(1,3-benzoxazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 24611705

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).