6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate

C17H17NO5S — CID 26943220

IUPAC6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate
SMILESCc1noc(C)c1S(=O)(=O)Oc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C17H17NO5S/c1-10-17(11(2)22-18-10)24(19,20)23-12-7-8-16-14(9-12)13-5-3-4-6-15(13)21-16/h7-9H,3-6H2,1-2H3
InChIKeyTYWIPEHDIOLPLZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.68
Rot. Bonds3

About 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate

6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate (PubChem CID 26943220) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate.

Molecular Properties

Compound Name6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate
PubChem CID26943220
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate
SMILESCc1noc(C)c1S(=O)(=O)Oc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C17H17NO5S/c1-10-17(11(2)22-18-10)24(19,20)23-12-7-8-16-14(9-12)13-5-3-4-6-15(13)21-16/h7-9H,3-6H2,1-2H3
InChIKeyTYWIPEHDIOLPLZ-UHFFFAOYSA-N
XLogP3.68
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate with MolForge

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Related Compounds

(2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 32938367
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31133084
5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
CID 112797307
6,7,8,9-tetrahydrodibenzofuran-2-yl 4-methylbenzoate
CID 828334
(2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 26946427
6,7,8,9-tetrahydrodibenzofuran-2-yl 2-methyl-3-methylsulfonylpropanoate
CID 154749681
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran
CID 7963270
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-N-(2,4,6-trimethylphenyl)sulfonylacetamide
CID 7315351
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate?
The IUPAC name of 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate (CID 26943220) is 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate.
What is the SMILES notation for 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate?
The canonical SMILES for 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate is Cc1noc(C)c1S(=O)(=O)Oc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate?
The InChIKey is TYWIPEHDIOLPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-10-17(11(2)22-18-10)24(19,20)23-12-7-8-16-14(9-12)13-5-3-4-6-15(13)21-16/h7-9H,3-6H2,1-2H3.
What are the key properties of 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate?
6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate has a molecular weight of 347.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate is sourced from PubChem (CID 26943220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).