5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine

C29H20N10O2S2 — CID 141196740

IUPAC5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
SMILESc1ccc2[nH]c(C3(c4ncco4)N(c4[nH]cc5ccccc45)N(c4nccs4)OC3(c3csnn3)c3ncc[nH]3)cc2c1
InChIInChI=1S/C29H20N10O2S2/c1-3-7-20-19(6-1)16-34-24(20)38-28(26-32-11-13-40-26,22-15-18-5-2-4-8-21(18)35-22)29(23-17-43-37-36-23,25-30-9-10-31-25)41-39(38)27-33-12-14-42-27/h1-17,34-35H,(H,30,31)
InChIKeyPVVDKITVGZDGBF-UHFFFAOYSA-N
MW604.68 g/mol
LogP5.73
Rot. Bonds6

About 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine

5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (PubChem CID 141196740) has the molecular formula C29H20N10O2S2 and a molecular weight of 604.68 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
PubChem CID141196740
Molecular FormulaC29H20N10O2S2
Molecular Weight604.68 g/mol
Exact Mass604.12
IUPAC Name5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
SMILESc1ccc2[nH]c(C3(c4ncco4)N(c4[nH]cc5ccccc45)N(c4nccs4)OC3(c3csnn3)c3ncc[nH]3)cc2c1
InChIInChI=1S/C29H20N10O2S2/c1-3-7-20-19(6-1)16-34-24(20)38-28(26-32-11-13-40-26,22-15-18-5-2-4-8-21(18)35-22)29(23-17-43-37-36-23,25-30-9-10-31-25)41-39(38)27-33-12-14-42-27/h1-17,34-35H,(H,30,31)
InChIKeyPVVDKITVGZDGBF-UHFFFAOYSA-N
XLogP5.73
TPSA140.67 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500604.68
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine with MolForge

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Related Compounds

4-(1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-(2H-triazol-4-yl)oxadiazolidine
CID 141017945
2-[5-(1H-imidazol-2-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-oxazole
CID 141079867
5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
CID 141087207
2-[2-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
CID 141341035

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?
The IUPAC name of 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine (CID 141196740) is 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?
The canonical SMILES for 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is c1ccc2[nH]c(C3(c4ncco4)N(c4[nH]cc5ccccc45)N(c4nccs4)OC3(c3csnn3)c3ncc[nH]3)cc2c1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?
The InChIKey is PVVDKITVGZDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N10O2S2/c1-3-7-20-19(6-1)16-34-24(20)38-28(26-32-11-13-40-26,22-15-18-5-2-4-8-21(18)35-22)29(23-17-43-37-36-23,25-30-9-10-31-25)41-39(38)27-33-12-14-42-27/h1-17,34-35H,(H,30,31).
What are the key properties of 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine?
5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine has a molecular weight of 604.68 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine is sourced from PubChem (CID 141196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).