4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole

C19H17NO3S — CID 33220895

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)cc1
InChIInChI=1S/C19H17NO3S/c1-13-2-4-14(5-3-13)19-20-15(11-23-19)12-24-16-6-7-17-18(10-16)22-9-8-21-17/h2-7,10-11H,8-9,12H2,1H3
InChIKeyQXLGZNXZKBUZRJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.71
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 33220895) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID33220895
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)cc1
InChIInChI=1S/C19H17NO3S/c1-13-2-4-14(5-3-13)19-20-15(11-23-19)12-24-16-6-7-17-18(10-16)22-9-8-21-17/h2-7,10-11H,8-9,12H2,1H3
InChIKeyQXLGZNXZKBUZRJ-UHFFFAOYSA-N
XLogP4.71
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole (CID 33220895) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)co2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is QXLGZNXZKBUZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-13-2-4-14(5-3-13)19-20-15(11-23-19)12-24-16-6-7-17-18(10-16)22-9-8-21-17/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 339.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 33220895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).