3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole

C24H17N13O2S2 — CID 141045087

IUPAC3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1coc(C2=C(c3cccs3)N=C(c3ccon3)S2(c2cnccn2)(c2cn[nH]n2)(c2nn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C24H17N13O2S2/c1-3-16(38-10-1)22-21(17-4-2-12-40-17)29-23(15-6-11-39-34-15)41(22,18-5-7-27-30-18,20-14-28-35-31-20,24-32-36-37-33-24)19-13-25-8-9-26-19/h1-14H,(H,27,30)(H,28,31,35)(H,32,33,36,37)
InChIKeyCCKMKZQWRODUET-UHFFFAOYSA-N
MW583.62 g/mol
LogP3.87
Rot. Bonds7

About 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole

3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 141045087) has the molecular formula C24H17N13O2S2 and a molecular weight of 583.62 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID141045087
Molecular FormulaC24H17N13O2S2
Molecular Weight583.62 g/mol
Exact Mass583.11
IUPAC Name3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1coc(C2=C(c3cccs3)N=C(c3ccon3)S2(c2cnccn2)(c2cn[nH]n2)(c2nn[nH]n2)c2ccn[nH]2)c1
InChIInChI=1S/C24H17N13O2S2/c1-3-16(38-10-1)22-21(17-4-2-12-40-17)29-23(15-6-11-39-34-15)41(22,18-5-7-27-30-18,20-14-28-35-31-20,24-32-36-37-33-24)19-13-25-8-9-26-19/h1-14H,(H,27,30)(H,28,31,35)(H,32,33,36,37)
InChIKeyCCKMKZQWRODUET-UHFFFAOYSA-N
XLogP3.87
TPSA202.02 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.62
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole with MolForge

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Related Compounds

3-[2-(furan-2-yl)-1-(1H-pyrazol-5-yl)-4-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiophen-1-yl]-1,2-oxazole
CID 141290849
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
furan;undecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
CID 159921537
benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
CID 160686775

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 141045087) is 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole is c1coc(C2=C(c3cccs3)N=C(c3ccon3)S2(c2cnccn2)(c2cn[nH]n2)(c2nn[nH]n2)c2ccn[nH]2)c1.
What is the InChIKey of 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is CCKMKZQWRODUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N13O2S2/c1-3-16(38-10-1)22-21(17-4-2-12-40-17)29-23(15-6-11-39-34-15)41(22,18-5-7-27-30-18,20-14-28-35-31-20,24-32-36-37-33-24)19-13-25-8-9-26-19/h1-14H,(H,27,30)(H,28,31,35)(H,32,33,36,37).
What are the key properties of 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole?
3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 583.62 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 141045087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).