5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole

C18H10N2O2S2 — CID 18525668

IUPAC5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
SMILESc1ccc2oc(-c3csc(-c4ccc(-c5ccno5)s4)n3)cc2c1
InChIInChI=1S/C18H10N2O2S2/c1-2-4-13-11(3-1)9-15(21-13)12-10-23-18(20-12)17-6-5-16(24-17)14-7-8-19-22-14/h1-10H
InChIKeyKHEOMPYIORSKNI-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.94
Rot. Bonds3

About 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole

5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole (PubChem CID 18525668) has the molecular formula C18H10N2O2S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
PubChem CID18525668
Molecular FormulaC18H10N2O2S2
Molecular Weight350.42 g/mol
Exact Mass350.02
IUPAC Name5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
SMILESc1ccc2oc(-c3csc(-c4ccc(-c5ccno5)s4)n3)cc2c1
InChIInChI=1S/C18H10N2O2S2/c1-2-4-13-11(3-1)9-15(21-13)12-10-23-18(20-12)17-6-5-16(24-17)14-7-8-19-22-14/h1-10H
InChIKeyKHEOMPYIORSKNI-UHFFFAOYSA-N
XLogP5.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole (CID 18525668) is 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole is c1ccc2oc(-c3csc(-c4ccc(-c5ccno5)s4)n3)cc2c1.
What is the InChIKey of 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The InChIKey is KHEOMPYIORSKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O2S2/c1-2-4-13-11(3-1)9-15(21-13)12-10-23-18(20-12)17-6-5-16(24-17)14-7-8-19-22-14/h1-10H.
What are the key properties of 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole has a molecular weight of 350.42 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 18525668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).