3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole

C21H11N7O5S2 — CID 56619082

IUPAC3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole
SMILESC1=C(c2cnc(-c3nccs3)o2)C(c2conc2-c2ccon2)N(c2nc(-c3ccon3)cs2)O1
InChIInChI=1S/C21H11N7O5S2/c1-4-29-25-13(1)15-10-35-21(24-15)28-18(12-8-31-27-17(12)14-2-5-30-26-14)11(9-32-28)16-7-23-19(33-16)20-22-3-6-34-20/h1-10,18H
InChIKeyRRLCERXUCYOATI-UHFFFAOYSA-N
MW505.50 g/mol
LogP5.09
Rot. Bonds6

About 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole

3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole (PubChem CID 56619082) has the molecular formula C21H11N7O5S2 and a molecular weight of 505.50 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole
PubChem CID56619082
Molecular FormulaC21H11N7O5S2
Molecular Weight505.50 g/mol
Exact Mass505.03
IUPAC Name3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole
SMILESC1=C(c2cnc(-c3nccs3)o2)C(c2conc2-c2ccon2)N(c2nc(-c3ccon3)cs2)O1
InChIInChI=1S/C21H11N7O5S2/c1-4-29-25-13(1)15-10-35-21(24-15)28-18(12-8-31-27-17(12)14-2-5-30-26-14)11(9-32-28)16-7-23-19(33-16)20-22-3-6-34-20/h1-10,18H
InChIKeyRRLCERXUCYOATI-UHFFFAOYSA-N
XLogP5.09
TPSA142.37 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

3-[3-[4-(Furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 90766371
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
2-[2-(Furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole
CID 141026538
2-[4-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazolidin-1-yl]-1,3-oxazole
CID 141041360
2-[1-(Furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
CID 141075802

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole (CID 56619082) is 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole is C1=C(c2cnc(-c3nccs3)o2)C(c2conc2-c2ccon2)N(c2nc(-c3ccon3)cs2)O1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole?
The InChIKey is RRLCERXUCYOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N7O5S2/c1-4-29-25-13(1)15-10-35-21(24-15)28-18(12-8-31-27-17(12)14-2-5-30-26-14)11(9-32-28)16-7-23-19(33-16)20-22-3-6-34-20/h1-10,18H.
What are the key properties of 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole?
3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole has a molecular weight of 505.50 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-4-[2-[4-(1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-4-[2-(1,3-thiazol-2-yl)-1,3-oxazol-5-yl]-3H-1,2-oxazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 56619082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).