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

C23H17N15O2S — CID 141039259

IUPAC2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ccon3)(c3ccn[nH]3)(c3ncco3)C(c3nn[nH]n3)=NC(c3ccn[nH]3)=C2c2cn[nH]n2)nc1
InChIInChI=1S/C23H17N15O2S/c1-2-7-24-16(3-1)41(17-5-9-27-32-17,18-6-11-40-35-18,23-25-10-12-39-23)20(15-13-28-36-31-15)19(14-4-8-26-30-14)29-22(41)21-33-37-38-34-21/h1-13H,(H,26,30)(H,27,32)(H,28,31,36)(H,33,34,37,38)
InChIKeyCLJHLVZUCAHNIJ-UHFFFAOYSA-N
MW567.56 g/mol
LogP2.53
Rot. Bonds7

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

2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole (PubChem CID 141039259) has the molecular formula C23H17N15O2S and a molecular weight of 567.56 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole
PubChem CID141039259
Molecular FormulaC23H17N15O2S
Molecular Weight567.56 g/mol
Exact Mass567.14
IUPAC Name2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ccon3)(c3ccn[nH]3)(c3ncco3)C(c3nn[nH]n3)=NC(c3ccn[nH]3)=C2c2cn[nH]n2)nc1
InChIInChI=1S/C23H17N15O2S/c1-2-7-24-16(3-1)41(17-5-9-27-32-17,18-6-11-40-35-18,23-25-10-12-39-23)20(15-13-28-36-31-15)19(14-4-8-26-30-14)29-22(41)21-33-37-38-34-21/h1-13H,(H,26,30)(H,27,32)(H,28,31,36)(H,33,34,37,38)
InChIKeyCLJHLVZUCAHNIJ-UHFFFAOYSA-N
XLogP2.53
TPSA230.70 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole with MolForge

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Related Compounds

1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,2-thiazole;1,3-thiazole;thiophene
CID 159537573
ethane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-2H-tetrazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole
CID 161496893
ethane;methane;hexakis(2-methylpropane);2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole;5-methyl-4-propan-2-ylthiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-3H-1,2,4-triazole;1H-pyrazole;pyridine;3H-pyrrole;1,3-thiazole
CID 167612838

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole (CID 141039259) is 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole is c1ccc(S2(c3ccon3)(c3ccn[nH]3)(c3ncco3)C(c3nn[nH]n3)=NC(c3ccn[nH]3)=C2c2cn[nH]n2)nc1.
What is the InChIKey of 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole?
The InChIKey is CLJHLVZUCAHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N15O2S/c1-2-7-24-16(3-1)41(17-5-9-27-32-17,18-6-11-40-35-18,23-25-10-12-39-23)20(15-13-28-36-31-15)19(14-4-8-26-30-14)29-22(41)21-33-37-38-34-21/h1-13H,(H,26,30)(H,27,32)(H,28,31,36)(H,33,34,37,38).
What are the key properties of 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole?
2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole has a molecular weight of 567.56 g/mol, XLogP of 2.53, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-3-yl)-1,4-bis(1H-pyrazol-5-yl)-1-pyridin-2-yl-2-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)-1,3-thiazol-1-yl]-1,3-oxazole is sourced from PubChem (CID 141039259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).