3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole

C21H16N6O2S — CID 141048956

IUPAC3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)(c3cccs3)O2)c1
InChIInChI=1S/C21H16N6O2S/c1-4-14(22-8-1)19-18(20-23-10-11-24-20)27(17-6-2-12-28-17)21(29-19,15-7-9-25-26-15)16-5-3-13-30-16/h1-13,22H,(H,23,24)(H,25,26)
InChIKeyQUSOWABUTJBUIR-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.38
Rot. Bonds5

About 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole

3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 141048956) has the molecular formula C21H16N6O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID141048956
Molecular FormulaC21H16N6O2S
Molecular Weight416.47 g/mol
Exact Mass416.11
IUPAC Name3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)(c3cccs3)O2)c1
InChIInChI=1S/C21H16N6O2S/c1-4-14(22-8-1)19-18(20-23-10-11-24-20)27(17-6-2-12-28-17)21(29-19,15-7-9-25-26-15)16-5-3-13-30-16/h1-13,22H,(H,23,24)(H,25,26)
InChIKeyQUSOWABUTJBUIR-UHFFFAOYSA-N
XLogP4.38
TPSA98.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)thiophene-3-carboxamide
CID 76148343
N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 76148365
1-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 76148390
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
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
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140977163
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 140977850
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-phenyl-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazolidine
CID 140987548
2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-phenyl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
CID 140989081

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole (CID 141048956) is 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole is c1c[nH]c(C2=C(c3ncc[nH]3)N(c3ccco3)C(c3ccn[nH]3)(c3cccs3)O2)c1.
What is the InChIKey of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is QUSOWABUTJBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S/c1-4-14(22-8-1)19-18(20-23-10-11-24-20)27(17-6-2-12-28-17)21(29-19,15-7-9-25-26-15)16-5-3-13-30-16/h1-13,22H,(H,23,24)(H,25,26).
What are the key properties of 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole?
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 416.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 141048956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).