5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

C20H14N2O3S — CID 2738225

IUPAC5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)on2)cc1
InChIInChI=1S/C20H14N2O3S/c1-2-4-13(5-3-1)15-11-18(25-22-15)16-12-26-20(21-16)14-6-7-17-19(10-14)24-9-8-23-17/h1-7,10-12H,8-9H2
InChIKeyIZUVMYQDQZBNMK-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.90
Rot. Bonds3

About 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole

5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (PubChem CID 2738225) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
PubChem CID2738225
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)on2)cc1
InChIInChI=1S/C20H14N2O3S/c1-2-4-13(5-3-1)15-11-18(25-22-15)16-12-26-20(21-16)14-6-7-17-19(10-14)24-9-8-23-17/h1-7,10-12H,8-9H2
InChIKeyIZUVMYQDQZBNMK-UHFFFAOYSA-N
XLogP4.90
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole (CID 2738225) is 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is c1ccc(-c2cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)on2)cc1.
What is the InChIKey of 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
The InChIKey is IZUVMYQDQZBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-2-4-13(5-3-1)15-11-18(25-22-15)16-12-26-20(21-16)14-6-7-17-19(10-14)24-9-8-23-17/h1-7,10-12H,8-9H2.
What are the key properties of 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole?
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole has a molecular weight of 362.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2738225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).