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

C45H30N12O2S — CID 140984210

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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc2[nH]c(C3(c4ccon4)N(c4[nH]cc5ccccc45)C(c4ncc5[nH]cnc5n4)(c4nccs4)OC3(c3ccn[nH]3)c3cccc4c3[nH]c3ccccc34)cc2c1
InChIInChI=1S/C45H30N12O2S/c1-3-10-28-27(9-1)23-47-40(28)57-43(35-17-20-58-56-35,37-22-26-8-2-5-14-32(26)52-37)44(36-16-18-51-55-36,31-13-7-12-30-29-11-4-6-15-33(29)53-38(30)31)59-45(57,42-46-19-21-60-42)41-48-24-34-39(54-41)50-25-49-34/h1-25,47,52-53H,(H,51,55)(H,48,49,50,54)
InChIKeyTXLKIAWDGYTKMP-UHFFFAOYSA-N
MW802.88 g/mol
LogP8.74
Rot. Bonds7

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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 140984210) has the molecular formula C45H30N12O2S and a molecular weight of 802.88 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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
PubChem CID140984210
Molecular FormulaC45H30N12O2S
Molecular Weight802.88 g/mol
Exact Mass802.23
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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc2[nH]c(C3(c4ccon4)N(c4[nH]cc5ccccc45)C(c4ncc5[nH]cnc5n4)(c4nccs4)OC3(c3ccn[nH]3)c3cccc4c3[nH]c3ccccc34)cc2c1
InChIInChI=1S/C45H30N12O2S/c1-3-10-28-27(9-1)23-47-40(28)57-43(35-17-20-58-56-35,37-22-26-8-2-5-14-32(26)52-37)44(36-16-18-51-55-36,31-13-7-12-30-29-11-4-6-15-33(29)53-38(30)31)59-45(57,42-46-19-21-60-42)41-48-24-34-39(54-41)50-25-49-34/h1-25,47,52-53H,(H,51,55)(H,48,49,50,54)
InChIKeyTXLKIAWDGYTKMP-UHFFFAOYSA-N
XLogP8.74
TPSA181.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.88
LogP ≤ 58.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141002480
2-[5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141051882
3-[2-cinnolin-3-yl-6-(1H-indazol-3-yl)-4-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-5,7-bis(1,3-thiazol-2-yl)-2H-quinazolin-8-yl]-1,2-oxazole
CID 141064198
3-[2-[4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)phenyl]sulfanyl-4-(furan-2-yl)-2-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-1-(1,2-oxazol-3-yl)-4-(1H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-5-(1H-triazol-4-yl)-1,3-diazinan-5-yl]chromen-2-one
CID 141232475
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
5-methyl-3-(2-propan-2-yloxyethyl)-1,2-oxazole;2-methyl-4-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-propan-2-yloxyethyl)pyrazole;bis(1-(2-propan-2-yloxyethyl)pyrrole);2-(propan-2-yloxymethyl)-1H-benzimidazole;2-(propan-2-yloxymethyl)quinoline;4-(propan-2-yloxymethyl)-1,3-thiazole;2-(3-propan-2-yloxypropyl)isoindole-1,3-dione
CID 159287570

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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 140984210) 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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is c1ccc2[nH]c(C3(c4ccon4)N(c4[nH]cc5ccccc45)C(c4ncc5[nH]cnc5n4)(c4nccs4)OC3(c3ccn[nH]3)c3cccc4c3[nH]c3ccccc34)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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The InChIKey is TXLKIAWDGYTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N12O2S/c1-3-10-28-27(9-1)23-47-40(28)57-43(35-17-20-58-56-35,37-22-26-8-2-5-14-32(26)52-37)44(36-16-18-51-55-36,31-13-7-12-30-29-11-4-6-15-33(29)53-38(30)31)59-45(57,42-46-19-21-60-42)41-48-24-34-39(54-41)50-25-49-34/h1-25,47,52-53H,(H,51,55)(H,48,49,50,54).
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)-5-(1H-pyrazol-5-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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 802.88 g/mol, XLogP of 8.74, 7 rotatable bonds, 5 hydrogen bond donors, and 10 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)-5-(1H-pyrazol-5-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 140984210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).