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

C18H10N2O2S2 — CID 2810631

IUPAC3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
SMILESc1ccc2oc(-c3csc(-c4ccc(-c5ccon5)s4)n3)cc2c1
InChIInChI=1S/C18H10N2O2S2/c1-2-4-14-11(3-1)9-15(22-14)13-10-23-18(19-13)17-6-5-16(24-17)12-7-8-21-20-12/h1-10H
InChIKeyXNNUEBXNWIAXGC-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.94
Rot. Bonds3

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

3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole (PubChem CID 2810631) has the molecular formula C18H10N2O2S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
PubChem CID2810631
Molecular FormulaC18H10N2O2S2
Molecular Weight350.42 g/mol
Exact Mass350.02
IUPAC Name3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole
SMILESc1ccc2oc(-c3csc(-c4ccc(-c5ccon5)s4)n3)cc2c1
InChIInChI=1S/C18H10N2O2S2/c1-2-4-14-11(3-1)9-15(22-14)13-10-23-18(19-13)17-6-5-16(24-17)12-7-8-21-20-12/h1-10H
InChIKeyXNNUEBXNWIAXGC-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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Related Compounds

5-[5-[4-(2-Benzofuranyl)-2-thiazolyl]-2-thienyl]isoxazole
CID 18525668
4-(1-benzofuran-2-yl)-N-[6-(hydroxyamino)-6-oxohexoxy]-1,3-thiazole-2-carboxamide
CID 178300867
(E)-2-(4-(benzofuran-2-yl)thiazol-2-yl)-3-(4-nitrophenyl)acrylonitrile
CID 5963934
(E)-2-(4-(furan-2-yl)thiazol-2-yl)-3-(5-(2-nitrophenyl)furan-2-yl)acrylonitrile
CID 6175677
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-methyl-7-thiophen-3-ylfuro[2,3-c]pyridine
CID 134807063
4-(6-Fluoro-1-benzofuran-2-yl)-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 146460717
2-(2,4-Difluorophenyl)-4-(6-nitro-1-benzofuran-2-yl)-1,3-thiazole
CID 146460719
2-(Furan-2-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 146460720
2-(Furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 146460726
Ethane;2-(furan-3-yl)-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
CID 153556376
(2E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 5740086
4-(1-Benzofuran-2-yl)-2-thiophen-2-yl-1,3-thiazole
CID 2810219

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The IUPAC name of 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole (CID 2810631) is 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole is c1ccc2oc(-c3csc(-c4ccc(-c5ccon5)s4)n3)cc2c1.
What is the InChIKey of 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
The InChIKey is XNNUEBXNWIAXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O2S2/c1-2-4-14-11(3-1)9-15(22-14)13-10-23-18(19-13)17-6-5-16(24-17)12-7-8-21-20-12/h1-10H.
What are the key properties of 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole?
3-[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 3-[5-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 2810631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).