5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine

C42H28N10O2S — CID 141002480

IUPAC5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc2[nH]c(C3(c4ccon4)C(c4cccc5c4[nH]c4ccccc45)OC(c4ncc5[nH]cnc5n4)(c4nccs4)N3c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C42H28N10O2S/c1-3-10-26-25(9-1)21-44-38(26)52-41(33-16-18-53-51-33,34-20-24-8-2-5-14-30(24)48-34)36(29-13-7-12-28-27-11-4-6-15-31(27)49-35(28)29)54-42(52,40-43-17-19-55-40)39-45-22-32-37(50-39)47-23-46-32/h1-23,36,44,48-49H,(H,45,46,47,50)
InChIKeyVGMDMFGFXXBGHH-UHFFFAOYSA-N
MW736.82 g/mol
LogP8.82
Rot. Bonds6

About 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine

5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 141002480) has the molecular formula C42H28N10O2S and a molecular weight of 736.82 g/mol. Its IUPAC name is 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
PubChem CID141002480
Molecular FormulaC42H28N10O2S
Molecular Weight736.82 g/mol
Exact Mass736.21
IUPAC Name5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc2[nH]c(C3(c4ccon4)C(c4cccc5c4[nH]c4ccccc45)OC(c4ncc5[nH]cnc5n4)(c4nccs4)N3c3[nH]cc4ccccc34)cc2c1
InChIInChI=1S/C42H28N10O2S/c1-3-10-26-25(9-1)21-44-38(26)52-41(33-16-18-53-51-33,34-20-24-8-2-5-14-30(24)48-34)36(29-13-7-12-28-27-11-4-6-15-31(27)49-35(28)29)54-42(52,40-43-17-19-55-40)39-45-22-32-37(50-39)47-23-46-32/h1-23,36,44,48-49H,(H,45,46,47,50)
InChIKeyVGMDMFGFXXBGHH-UHFFFAOYSA-N
XLogP8.82
TPSA153.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.82
LogP ≤ 58.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine with MolForge

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Related Compounds

5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 140984210
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole
CID 141454607
3-[2-[5-(1-benzofuran-2-yl)-6-(9H-carbazol-1-yl)-6-(furan-2-yl)-1-(1H-indol-2-yl)-4-(oxolan-2-yl)-2-piperazin-1-yl-3-piperidin-1-yl-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-diazinan-2-yl]-2-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)oxan-3-yl]-1,2-oxazole
CID 141536657

Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The IUPAC name of 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 141002480) is 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The canonical SMILES for 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is c1ccc2[nH]c(C3(c4ccon4)C(c4cccc5c4[nH]c4ccccc45)OC(c4ncc5[nH]cnc5n4)(c4nccs4)N3c3[nH]cc4ccccc34)cc2c1.
What is the InChIKey of 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The InChIKey is VGMDMFGFXXBGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N10O2S/c1-3-10-26-25(9-1)21-44-38(26)52-41(33-16-18-53-51-33,34-20-24-8-2-5-14-30(24)48-34)36(29-13-7-12-28-27-11-4-6-15-31(27)49-35(28)29)54-42(52,40-43-17-19-55-40)39-45-22-32-37(50-39)47-23-46-32/h1-23,36,44,48-49H,(H,45,46,47,50).
What are the key properties of 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?
5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 736.82 g/mol, XLogP of 8.82, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-1-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,2-oxazol-3-yl)-2-(7H-purin-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 141002480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).