2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole

C17H12N4O2S2 — CID 140985903

IUPAC2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1coc(C2(c3nccs3)NC(c3ncc[nH]3)=C(c3cccs3)O2)c1
InChIInChI=1S/C17H12N4O2S2/c1-4-12(22-8-1)17(16-20-7-10-25-16)21-13(15-18-5-6-19-15)14(23-17)11-3-2-9-24-11/h1-10,21H,(H,18,19)
InChIKeyWIWBYVPYARPUJO-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.87
Rot. Bonds4

About 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole

2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 140985903) has the molecular formula C17H12N4O2S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
PubChem CID140985903
Molecular FormulaC17H12N4O2S2
Molecular Weight368.44 g/mol
Exact Mass368.04
IUPAC Name2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1coc(C2(c3nccs3)NC(c3ncc[nH]3)=C(c3cccs3)O2)c1
InChIInChI=1S/C17H12N4O2S2/c1-4-12(22-8-1)17(16-20-7-10-25-16)21-13(15-18-5-6-19-15)14(23-17)11-3-2-9-24-11/h1-10,21H,(H,18,19)
InChIKeyWIWBYVPYARPUJO-UHFFFAOYSA-N
XLogP3.87
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(furan-2-yl)-5-thiophen-2-yl-1H-imidazol-2-yl]-1,3-thiazole
CID 141297350
2-(furan-2-yl)-1,3-oxazole;2-(1H-imidazol-2-yl)-1,3-thiazole;1H-pyrrole;2-(1H-pyrrol-2-yl)-1H-imidazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
CID 157292818
N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide
CID 51700832
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63242527
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 64482737
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64487073
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 64487385

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole (CID 140985903) is 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole is c1coc(C2(c3nccs3)NC(c3ncc[nH]3)=C(c3cccs3)O2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is WIWBYVPYARPUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S2/c1-4-12(22-8-1)17(16-20-7-10-25-16)21-13(15-18-5-6-19-15)14(23-17)11-3-2-9-24-11/h1-10,21H,(H,18,19).
What are the key properties of 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 368.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 140985903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).