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2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole

C25H19N15OS — CID 141050925

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

IUPAC2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ncco3)N(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C(c3nn[nH]n3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C25H19N15OS/c1-2-6-26-16(4-1)25(23-30-10-12-41-23)39(17-5-3-7-27-17)20(22-34-37-38-35-22)18(15-14-32-36-33-15)19(21-28-8-9-29-21)40(25)24-31-11-13-42-24/h1-14,20,27H,(H,28,29)(H,32,33,36)(H,34,35,37,38)
InChIKeyHJTFXEJQNNTZEL-UHFFFAOYSA-N
MW577.60 g/mol
LogP2.75
Rot. Bonds7

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

2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (PubChem CID 141050925) has the molecular formula C25H19N15OS and a molecular weight of 577.60 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
PubChem CID141050925
Molecular FormulaC25H19N15OS
Molecular Weight577.60 g/mol
Exact Mass577.16
IUPAC Name2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
SMILESc1ccc(C2(c3ncco3)N(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C(c3nn[nH]n3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C25H19N15OS/c1-2-6-26-16(4-1)25(23-30-10-12-41-23)39(17-5-3-7-27-17)20(22-34-37-38-35-22)18(15-14-32-36-33-15)19(21-28-8-9-29-21)40(25)24-31-11-13-42-24/h1-14,20,27H,(H,28,29)(H,32,33,36)(H,34,35,37,38)
InChIKeyHJTFXEJQNNTZEL-UHFFFAOYSA-N
XLogP2.75
TPSA198.79 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole (CID 141050925) is 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is c1ccc(C2(c3ncco3)N(c3nccs3)C(c3ncc[nH]3)=C(c3cn[nH]n3)C(c3nn[nH]n3)N2c2ccc[nH]2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
The InChIKey is HJTFXEJQNNTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N15OS/c1-2-6-26-16(4-1)25(23-30-10-12-41-23)39(17-5-3-7-27-17)20(22-34-37-38-35-22)18(15-14-32-36-33-15)19(21-28-8-9-29-21)40(25)24-31-11-13-42-24/h1-14,20,27H,(H,28,29)(H,32,33,36)(H,34,35,37,38).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole?
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole has a molecular weight of 577.60 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141050925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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