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2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole

C22H17N15O2S — CID 141051021

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

IUPAC2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole
SMILESc1c[nH]c(C2N(c3ccon3)C(c3nn[nH]n3)(c3ncco3)N(c3ccsn3)C2(c2cn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C22H17N15O2S/c1-2-13(23-6-1)18-21(14-3-7-25-27-14,15-12-26-33-28-15)37(17-5-11-40-32-17)22(19-29-34-35-30-19,20-24-8-10-38-20)36(18)16-4-9-39-31-16/h1-12,18,23H,(H,25,27)(H,26,28,33)(H,29,30,34,35)
InChIKeyWGRBFKPDTAVTBV-UHFFFAOYSA-N
MW555.55 g/mol
LogP1.71
Rot. Bonds7

About 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole

2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole (PubChem CID 141051021) has the molecular formula C22H17N15O2S and a molecular weight of 555.55 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole
PubChem CID141051021
Molecular FormulaC22H17N15O2S
Molecular Weight555.55 g/mol
Exact Mass555.14
IUPAC Name2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole
SMILESc1c[nH]c(C2N(c3ccon3)C(c3nn[nH]n3)(c3ncco3)N(c3ccsn3)C2(c2cn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C22H17N15O2S/c1-2-13(23-6-1)18-21(14-3-7-25-27-14,15-12-26-33-28-15)37(17-5-11-40-32-17)22(19-29-34-35-30-19,20-24-8-10-38-20)36(18)16-4-9-39-31-16/h1-12,18,23H,(H,25,27)(H,26,28,33)(H,29,30,34,35)
InChIKeyWGRBFKPDTAVTBV-UHFFFAOYSA-N
XLogP1.71
TPSA211.93 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.55
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-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)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole (CID 141051021) is 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole is c1c[nH]c(C2N(c3ccon3)C(c3nn[nH]n3)(c3ncco3)N(c3ccsn3)C2(c2cn[nH]n2)c2ccn[nH]2)c1.
What is the InChIKey of 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole?
The InChIKey is WGRBFKPDTAVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N15O2S/c1-2-13(23-6-1)18-21(14-3-7-25-27-14,15-12-26-33-28-15)37(17-5-11-40-32-17)22(19-29-34-35-30-19,20-24-8-10-38-20)36(18)16-4-9-39-31-16/h1-12,18,23H,(H,25,27)(H,26,28,33)(H,29,30,34,35).
What are the key properties of 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole?
2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole has a molecular weight of 555.55 g/mol, XLogP of 1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 141051021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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