3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol

C11H13NO4S — CID 116853227

IUPAC3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
SMILESCc1nc2ccc(S(=O)(=O)CCCO)cc2o1
InChIInChI=1S/C11H13NO4S/c1-8-12-10-4-3-9(7-11(10)16-8)17(14,15)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyZLDJBMGSFLBWEY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.29
Rot. Bonds4

About 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol

3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol (PubChem CID 116853227) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
PubChem CID116853227
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
SMILESCc1nc2ccc(S(=O)(=O)CCCO)cc2o1
InChIInChI=1S/C11H13NO4S/c1-8-12-10-4-3-9(7-11(10)16-8)17(14,15)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3
InChIKeyZLDJBMGSFLBWEY-UHFFFAOYSA-N
XLogP1.29
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-amine
CID 116853340
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
2-methyl-N-(3-methylbutyl)-1,3-benzoxazole-6-sulfonamide
CID 46374849
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116841072
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol?
The IUPAC name of 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol (CID 116853227) is 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol is Cc1nc2ccc(S(=O)(=O)CCCO)cc2o1.
What is the InChIKey of 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol?
The InChIKey is ZLDJBMGSFLBWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-8-12-10-4-3-9(7-11(10)16-8)17(14,15)6-2-5-13/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol?
3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol has a molecular weight of 255.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol is sourced from PubChem (CID 116853227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).