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2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole

C26H17N13O2S2 — CID 140981688

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2C(c3ccsn3)=C(c3nccs3)N(c3ccon3)C(c3cnccn3)(c3ncco3)N2c2nn[nH]n2)nc1
InChIInChI=1S/C26H17N13O2S2/c1-2-6-28-17(3-1)21-20(16-5-13-43-35-16)22(23-30-10-14-42-23)38(19-4-11-41-34-19)26(24-31-9-12-40-24,18-15-27-7-8-29-18)39(21)25-32-36-37-33-25/h1-15,21H,(H,32,33,36,37)
InChIKeyQWMSWLOXKRMFPI-UHFFFAOYSA-N
MW607.65 g/mol
LogP3.81
Rot. Bonds7

About 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole

2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (PubChem CID 140981688) has the molecular formula C26H17N13O2S2 and a molecular weight of 607.65 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
PubChem CID140981688
Molecular FormulaC26H17N13O2S2
Molecular Weight607.65 g/mol
Exact Mass607.11
IUPAC Name2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2C(c3ccsn3)=C(c3nccs3)N(c3ccon3)C(c3cnccn3)(c3ncco3)N2c2nn[nH]n2)nc1
InChIInChI=1S/C26H17N13O2S2/c1-2-6-28-17(3-1)21-20(16-5-13-43-35-16)22(23-30-10-14-42-23)38(19-4-11-41-34-19)26(24-31-9-12-40-24,18-15-27-7-8-29-18)39(21)25-32-36-37-33-25/h1-15,21H,(H,32,33,36,37)
InChIKeyQWMSWLOXKRMFPI-UHFFFAOYSA-N
XLogP3.81
TPSA177.45 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.65
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (CID 140981688) is 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is c1ccc(C2C(c3ccsn3)=C(c3nccs3)N(c3ccon3)C(c3cnccn3)(c3ncco3)N2c2nn[nH]n2)nc1.
What is the InChIKey of 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The InChIKey is QWMSWLOXKRMFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N13O2S2/c1-2-6-28-17(3-1)21-20(16-5-13-43-35-16)22(23-30-10-14-42-23)38(19-4-11-41-34-19)26(24-31-9-12-40-24,18-15-27-7-8-29-18)39(21)25-32-36-37-33-25/h1-15,21H,(H,32,33,36,37).
What are the key properties of 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole has a molecular weight of 607.65 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 140981688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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