4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole

C18H14N6O5S — CID 141090806

IUPAC4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole
SMILESC1=C(C2(c3ncco3)OCC(c3cn[nH]n3)(c3ccco3)N2c2cccs2)NOO1
InChIInChI=1S/C18H14N6O5S/c1-3-14(25-6-1)17(12-9-20-23-21-12)11-27-18(13-10-28-29-22-13,16-19-5-7-26-16)24(17)15-4-2-8-30-15/h1-10,22H,11H2,(H,20,21,23)
InChIKeyRHXWIBHRVDUMFI-UHFFFAOYSA-N
MW426.41 g/mol
LogP2.39
Rot. Bonds5

About 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole

4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole (PubChem CID 141090806) has the molecular formula C18H14N6O5S and a molecular weight of 426.41 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole
PubChem CID141090806
Molecular FormulaC18H14N6O5S
Molecular Weight426.41 g/mol
Exact Mass426.07
IUPAC Name4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole
SMILESC1=C(C2(c3ncco3)OCC(c3cn[nH]n3)(c3ccco3)N2c2cccs2)NOO1
InChIInChI=1S/C18H14N6O5S/c1-3-14(25-6-1)17(12-9-20-23-21-12)11-27-18(13-10-28-29-22-13,16-19-5-7-26-16)24(17)15-4-2-8-30-15/h1-10,22H,11H2,(H,20,21,23)
InChIKeyRHXWIBHRVDUMFI-UHFFFAOYSA-N
XLogP2.39
TPSA123.70 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[5-(aziridin-1-yl)-3-(furan-2-yl)-6-pyridin-2-yl-4-thiophen-2-yl-3-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 140979166
3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
CID 141186215

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole?
The IUPAC name of 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole (CID 141090806) is 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole.
What is the SMILES notation for 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole?
The canonical SMILES for 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole is C1=C(C2(c3ncco3)OCC(c3cn[nH]n3)(c3ccco3)N2c2cccs2)NOO1.
What is the InChIKey of 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole?
The InChIKey is RHXWIBHRVDUMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O5S/c1-3-14(25-6-1)17(12-9-20-23-21-12)11-27-18(13-10-28-29-22-13,16-19-5-7-26-16)24(17)15-4-2-8-30-15/h1-10,22H,11H2,(H,20,21,23).
What are the key properties of 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole?
4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole has a molecular weight of 426.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole is sourced from PubChem (CID 141090806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).