3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole

C23H17N13O2S2 — CID 141207619

IUPAC3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
SMILESc1c[nH]c(C2(c3ccsn3)N(c3cnon3)N(c3ccn[nH]3)N(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1
InChIInChI=1S/C23H17N13O2S2/c1-2-15(24-6-1)22(17-5-12-40-33-17)23(16-3-7-27-30-16,20-25-9-11-37-20)35(21-26-10-13-39-21)36(18-4-8-28-31-18)34(22)19-14-29-38-32-19/h1-14,24H,(H,27,30)(H,28,31)
InChIKeyGULARWVRVGHVSC-UHFFFAOYSA-N
MW571.61 g/mol
LogP3.30
Rot. Bonds7

About 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole

3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole (PubChem CID 141207619) has the molecular formula C23H17N13O2S2 and a molecular weight of 571.61 g/mol. Its IUPAC name is 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
PubChem CID141207619
Molecular FormulaC23H17N13O2S2
Molecular Weight571.61 g/mol
Exact Mass571.11
IUPAC Name3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole
SMILESc1c[nH]c(C2(c3ccsn3)N(c3cnon3)N(c3ccn[nH]3)N(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1
InChIInChI=1S/C23H17N13O2S2/c1-2-15(24-6-1)22(17-5-12-40-33-17)23(16-3-7-27-30-16,20-25-9-11-37-20)35(21-26-10-13-39-21)36(18-4-8-28-31-18)34(22)19-14-29-38-32-19/h1-14,24H,(H,27,30)(H,28,31)
InChIKeyGULARWVRVGHVSC-UHFFFAOYSA-N
XLogP3.30
TPSA173.60 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.61
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole 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

4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
2-[5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
CID 140993319
2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
CID 141008871
2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
CID 141010158
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
3-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4-(1H-1,2,4-triazol-5-yl)-1,2-oxazolidine
CID 141019121
2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-5-(thiadiazol-4-yl)-4-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-oxazole
CID 141033466
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
3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-2-(1H-pyrazol-5-yl)-4-[4-(1H-pyrrol-2-yl)-1,2-thiazol-3-yl]-4-(1,3-thiazol-2-yl)oxadiazolidine
CID 141123637
4-[4-(furan-2-yl)-1,3-oxazol-2-yl]-4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
CID 141146974
4-[2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-4-yl]oxadiazole
CID 141150876
5-[5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)oxadiazolidin-4-yl]-2-(1,2-thiazol-3-yl)-3H-oxatriazole
CID 141188668

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole (CID 141207619) is 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole is c1c[nH]c(C2(c3ccsn3)N(c3cnon3)N(c3ccn[nH]3)N(c3nccs3)C2(c2ccn[nH]2)c2ncco2)c1.
What is the InChIKey of 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole?
The InChIKey is GULARWVRVGHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N13O2S2/c1-2-15(24-6-1)22(17-5-12-40-33-17)23(16-3-7-27-30-16,20-25-9-11-37-20)35(21-26-10-13-39-21)36(18-4-8-28-31-18)34(22)19-14-29-38-32-19/h1-14,24H,(H,27,30)(H,28,31).
What are the key properties of 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole?
3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole has a molecular weight of 571.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-oxazol-2-yl)-2,4-bis(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141207619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).