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

C42H40N12O4S2 — CID 67212847

IUPACfuran;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
SMILESc1c[nH]c(C2(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3cccs3)ON2c2ccco2)c1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C21H16N6O2S.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c1-5-16(22-8-1)21(20-23-10-11-24-20)18(14-7-9-25-26-14)19(15-4-3-13-30-15)29-27(21)17-6-2-12-28-17;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-13,22H,(H,23,24)(H,25,26);1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyMETMGDHPAQZVGS-UHFFFAOYSA-N
MW841.00 g/mol
LogP9.92
Rot. Bonds5

About 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

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 (PubChem CID 67212847) has the molecular formula C42H40N12O4S2 and a molecular weight of 841.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namefuran;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
PubChem CID67212847
Molecular FormulaC42H40N12O4S2
Molecular Weight841.00 g/mol
Exact Mass840.27
IUPAC Namefuran;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
SMILESc1c[nH]c(C2(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3cccs3)ON2c2ccco2)c1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1
InChIInChI=1S/C21H16N6O2S.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c1-5-16(22-8-1)21(20-23-10-11-24-20)18(14-7-9-25-26-14)19(15-4-3-13-30-15)29-27(21)17-6-2-12-28-17;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-13,22H,(H,23,24)(H,25,26);1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyMETMGDHPAQZVGS-UHFFFAOYSA-N
XLogP9.92
TPSA211.08 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500841.00
LogP ≤ 59.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(C2(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3cccs3)ON2c2ccco2)c1.c1c[nH]cn1.c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.
What is the InChIKey of 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?
The InChIKey is METMGDHPAQZVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S.C4H5N.C4H4O.C4H4S.2C3H4N2.C3H3NO/c1-5-16(22-8-1)21(20-23-10-11-24-20)18(14-7-9-25-26-14)19(15-4-3-13-30-15)29-27(21)17-6-2-12-28-17;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-13,22H,(H,23,24)(H,25,26);1-5H;2*1-4H;2*1-3H,(H,4,5);1-3H.
What are the key properties of 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?
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 has a molecular weight of 841.00 g/mol, XLogP of 9.92, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67212847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).