2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole

C25H16N12O2S2 — CID 141050974

IUPAC2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
SMILESc1coc(C2(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)C(c3nccs3)=C(c3ncco3)N2c2cccs2)c1
InChIInChI=1S/C25H16N12O2S2/c1-3-15(38-9-1)25(24-32-35-36-33-24)19(14-13-30-34-31-14)17(21-26-5-6-27-21)18(23-29-8-12-41-23)20(22-28-7-10-39-22)37(25)16-4-2-11-40-16/h1-13H,(H,26,27)(H,30,31,34)(H,32,33,35,36)
InChIKeyNFIMUULCFAFHGQ-UHFFFAOYSA-N
MW580.62 g/mol
LogP4.08
Rot. Bonds7

About 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole

2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole (PubChem CID 141050974) has the molecular formula C25H16N12O2S2 and a molecular weight of 580.62 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
PubChem CID141050974
Molecular FormulaC25H16N12O2S2
Molecular Weight580.62 g/mol
Exact Mass580.10
IUPAC Name2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole
SMILESc1coc(C2(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)C(c3nccs3)=C(c3ncco3)N2c2cccs2)c1
InChIInChI=1S/C25H16N12O2S2/c1-3-15(38-9-1)25(24-32-35-36-33-24)19(14-13-30-34-31-14)17(21-26-5-6-27-21)18(23-29-8-12-41-23)20(22-28-7-10-39-22)37(25)16-4-2-11-40-16/h1-13H,(H,26,27)(H,30,31,34)(H,32,33,35,36)
InChIKeyNFIMUULCFAFHGQ-UHFFFAOYSA-N
XLogP4.08
TPSA180.01 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.62
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-methylidene-3-propan-2-ylcyclobut-2-en-1-one;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3H-1,2,4-triazole;1,1,1-trifluoro-3-methylbutan-2-ol
CID 161555264
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
CID 91291255
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
2-[6-[4-[2-[2-[5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-2-pyridinyl]furan-3-yl]-1H-imidazol-4-yl]-1,3,5-triazin-2-yl]-2H-pyran-5-yl]-1,3-thiazole
CID 136655040
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653
4-[6-[1-(2,3-dihydropyrrol-1-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-1-(1H-pyrrol-2-yl)-4-(1H-tetrazol-5-yl)-4-(1H-triazol-4-yl)-1,3-thiazolidin-2-yl]-5-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)-5-imidazolidin-1-yl-4-pyrrolidin-1-yl-6-(thiadiazol-4-yl)-1-(thiatriazol-5-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidin-2-yl]oxadiazole
CID 139628757
4-[5-(furan-2-yl)-5-(1H-pyrazol-5-yl)-1-pyridin-2-yl-4-(2H-tetrazol-5-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrol-3-yl]thiadiazole
CID 140973854

Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole (CID 141050974) is 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole is c1coc(C2(c3nn[nH]n3)C(c3cn[nH]n3)=C(c3ncc[nH]3)C(c3nccs3)=C(c3ncco3)N2c2cccs2)c1.
What is the InChIKey of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?
The InChIKey is NFIMUULCFAFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N12O2S2/c1-3-15(38-9-1)25(24-32-35-36-33-24)19(14-13-30-34-31-14)17(21-26-5-6-27-21)18(23-29-8-12-41-23)20(22-28-7-10-39-22)37(25)16-4-2-11-40-16/h1-13H,(H,26,27)(H,30,31,34)(H,32,33,35,36).
What are the key properties of 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole?
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole has a molecular weight of 580.62 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-6-(2H-tetrazol-5-yl)-3-(1,3-thiazol-2-yl)-1-thiophen-2-yl-5-(2H-triazol-4-yl)-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 141050974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).