3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole

C16H9N9O3S2 — CID 141203649

IUPAC3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1coc(C2=C(c3nccs3)OC(c3csnn3)(c3cn[nH]n3)N2c2ccon2)n1
InChIInChI=1S/C16H9N9O3S2/c1-4-27-22-11(1)25-12(14-17-2-5-26-14)13(15-18-3-6-29-15)28-16(25,9-7-19-23-20-9)10-8-30-24-21-10/h1-8H,(H,19,20,23)
InChIKeyWZSRDDSYDROYDL-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.35
Rot. Bonds5

About 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole

3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole (PubChem CID 141203649) has the molecular formula C16H9N9O3S2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole
PubChem CID141203649
Molecular FormulaC16H9N9O3S2
Molecular Weight439.44 g/mol
Exact Mass439.03
IUPAC Name3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole
SMILESc1coc(C2=C(c3nccs3)OC(c3csnn3)(c3cn[nH]n3)N2c2ccon2)n1
InChIInChI=1S/C16H9N9O3S2/c1-4-27-22-11(1)25-12(14-17-2-5-26-14)13(15-18-3-6-29-15)28-16(25,9-7-19-23-20-9)10-8-30-24-21-10/h1-8H,(H,19,20,23)
InChIKeyWZSRDDSYDROYDL-UHFFFAOYSA-N
XLogP2.35
TPSA144.77 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole (CID 141203649) is 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole is c1coc(C2=C(c3nccs3)OC(c3csnn3)(c3cn[nH]n3)N2c2ccon2)n1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is WZSRDDSYDROYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N9O3S2/c1-4-27-22-11(1)25-12(14-17-2-5-26-14)13(15-18-3-6-29-15)28-16(25,9-7-19-23-20-9)10-8-30-24-21-10/h1-8H,(H,19,20,23).
What are the key properties of 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole?
3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 439.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 141203649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).