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

C17H13N5O2S — CID 141214111

IUPAC4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESc1coc(C2=C(c3ncc[nH]3)OC(c3ccn[nH]3)(c3cccs3)N2)c1
InChIInChI=1S/C17H13N5O2S/c1-3-11(23-9-1)14-15(16-18-7-8-19-16)24-17(21-14,12-5-6-20-22-12)13-4-2-10-25-13/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyMVGBBNJNZIEVBR-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.13
Rot. Bonds4

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

4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 141214111) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
PubChem CID141214111
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESc1coc(C2=C(c3ncc[nH]3)OC(c3ccn[nH]3)(c3cccs3)N2)c1
InChIInChI=1S/C17H13N5O2S/c1-3-11(23-9-1)14-15(16-18-7-8-19-16)24-17(21-14,12-5-6-20-22-12)13-4-2-10-25-13/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyMVGBBNJNZIEVBR-UHFFFAOYSA-N
XLogP3.13
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-furyl}-1H-pyrazole
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3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
1-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 76148390
N-(furan-2-ylmethyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazin-6-amine
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5-(2-Furyl)-1-(2-thienylmethyl)-1,4-dihydroimidazo[4,5-c]pyrazole
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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-(furan-2-yl)-5-thiophen-2-yl-1H-imidazole
CID 118521441
4-[2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-1H-imidazol-5-yl]-2H-triazole
CID 136655709
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
2-[4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 140993860
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
CID 140998023

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole (CID 141214111) is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole is c1coc(C2=C(c3ncc[nH]3)OC(c3ccn[nH]3)(c3cccs3)N2)c1.
What is the InChIKey of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is MVGBBNJNZIEVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-3-11(23-9-1)14-15(16-18-7-8-19-16)24-17(21-14,12-5-6-20-22-12)13-4-2-10-25-13/h1-10,21H,(H,18,19)(H,20,22).
What are the key properties of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 351.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 141214111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).