3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole

C15H10N6O3S — CID 141314194

IUPAC3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole
SMILESc1coc(N2C(c3ccon3)=C(c3ccsn3)ON2c2ncc[nH]2)c1
InChIInChI=1S/C15H10N6O3S/c1-2-12(22-7-1)20-13(10-3-8-23-18-10)14(11-4-9-25-19-11)24-21(20)15-16-5-6-17-15/h1-9H,(H,16,17)
InChIKeyXMFZTXZMMCKGFY-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.15
Rot. Bonds4

About 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole

3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole (PubChem CID 141314194) has the molecular formula C15H10N6O3S and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole
PubChem CID141314194
Molecular FormulaC15H10N6O3S
Molecular Weight354.35 g/mol
Exact Mass354.05
IUPAC Name3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole
SMILESc1coc(N2C(c3ccon3)=C(c3ccsn3)ON2c2ncc[nH]2)c1
InChIInChI=1S/C15H10N6O3S/c1-2-12(22-7-1)20-13(10-3-8-23-18-10)14(11-4-9-25-19-11)24-21(20)15-16-5-6-17-15/h1-9H,(H,16,17)
InChIKeyXMFZTXZMMCKGFY-UHFFFAOYSA-N
XLogP3.15
TPSA96.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole
CID 141063728

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole?
The IUPAC name of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole (CID 141314194) is 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole is c1coc(N2C(c3ccon3)=C(c3ccsn3)ON2c2ncc[nH]2)c1.
What is the InChIKey of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole?
The InChIKey is XMFZTXZMMCKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O3S/c1-2-12(22-7-1)20-13(10-3-8-23-18-10)14(11-4-9-25-19-11)24-21(20)15-16-5-6-17-15/h1-9H,(H,16,17).
What are the key properties of 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole?
3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole has a molecular weight of 354.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,2-thiazol-3-yl)oxadiazole is sourced from PubChem (CID 141314194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).