5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole

C23H13N7O4S — CID 141205219

IUPAC5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole
SMILESc1coc(-c2c(-c3ncco3)c(-c3ccon3)c3c(c2-c2cccs2)N(c2ccnnn2)ON3)c1
InChIInChI=1S/C23H13N7O4S/c1-3-14(31-9-1)18-19(15-4-2-12-35-15)22-21(28-34-30(22)16-5-7-25-29-26-16)17(13-6-10-33-27-13)20(18)23-24-8-11-32-23/h1-12,28H
InChIKeyADZZIBROZGGGOS-UHFFFAOYSA-N
MW483.47 g/mol
LogP5.58
Rot. Bonds5

About 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole

5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole (PubChem CID 141205219) has the molecular formula C23H13N7O4S and a molecular weight of 483.47 g/mol. Its IUPAC name is 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole
PubChem CID141205219
Molecular FormulaC23H13N7O4S
Molecular Weight483.47 g/mol
Exact Mass483.07
IUPAC Name5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole
SMILESc1coc(-c2c(-c3ncco3)c(-c3ccon3)c3c(c2-c2cccs2)N(c2ccnnn2)ON3)c1
InChIInChI=1S/C23H13N7O4S/c1-3-14(31-9-1)18-19(15-4-2-12-35-15)22-21(28-34-30(22)16-5-7-25-29-26-16)17(13-6-10-33-27-13)20(18)23-24-8-11-32-23/h1-12,28H
InChIKeyADZZIBROZGGGOS-UHFFFAOYSA-N
XLogP5.58
TPSA128.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500483.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole with MolForge

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Related Compounds

2-[6-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-inden-1-yl)-1-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-5-thiophen-2-yl-9H-carbazol-2-yl]-1,3-oxazole
CID 141155828
4-[4-(1,2-Oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
CID 141196717
6-(furan-2-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-3a-pyridin-2-yl-3-pyrimidin-2-yl-7-thiophen-2-yl-1-(triazin-4-yl)-4H-2,1,3-benzoxadiazole
CID 141254192
2-[4-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-isoindol-1-yl)-2-(furan-2-yl)-7-(1,2-oxazol-3-yl)-3-phenyl-6-(1H-pyrazol-3-yl)-5-thiophen-2-ylbenzimidazol-1-yl]-1,3-oxazole
CID 141442674

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole?
The IUPAC name of 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole (CID 141205219) is 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole?
The canonical SMILES for 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole is c1coc(-c2c(-c3ncco3)c(-c3ccon3)c3c(c2-c2cccs2)N(c2ccnnn2)ON3)c1.
What is the InChIKey of 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole?
The InChIKey is ADZZIBROZGGGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N7O4S/c1-3-14(31-9-1)18-19(15-4-2-12-35-15)22-21(28-34-30(22)16-5-7-25-29-26-16)17(13-6-10-33-27-13)20(18)23-24-8-11-32-23/h1-12,28H.
What are the key properties of 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole?
5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole has a molecular weight of 483.47 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole is sourced from PubChem (CID 141205219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).