3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole

C33H22N6O2S — CID 141385587

IUPAC3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole
SMILESc1csc(N2OC(c3cc4ccccc4[nH]3)=C(c3ccn[nH]3)C2(c2cc3ccccc3o2)c2[nH]nc3ccccc23)c1
InChIInChI=1S/C33H22N6O2S/c1-4-11-23-20(8-1)18-26(35-23)31-30(25-15-16-34-36-25)33(39(41-31)29-14-7-17-42-29,28-19-21-9-2-6-13-27(21)40-28)32-22-10-3-5-12-24(22)37-38-32/h1-19,35H,(H,34,36)(H,37,38)
InChIKeyIXUPZLJQYYBEJA-UHFFFAOYSA-N
MW566.65 g/mol
LogP7.84
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole

3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole (PubChem CID 141385587) has the molecular formula C33H22N6O2S and a molecular weight of 566.65 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole
PubChem CID141385587
Molecular FormulaC33H22N6O2S
Molecular Weight566.65 g/mol
Exact Mass566.15
IUPAC Name3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole
SMILESc1csc(N2OC(c3cc4ccccc4[nH]3)=C(c3ccn[nH]3)C2(c2cc3ccccc3o2)c2[nH]nc3ccccc23)c1
InChIInChI=1S/C33H22N6O2S/c1-4-11-23-20(8-1)18-26(35-23)31-30(25-15-16-34-36-25)33(39(41-31)29-14-7-17-42-29,28-19-21-9-2-6-13-27(21)40-28)32-22-10-3-5-12-24(22)37-38-32/h1-19,35H,(H,34,36)(H,37,38)
InChIKeyIXUPZLJQYYBEJA-UHFFFAOYSA-N
XLogP7.84
TPSA98.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.65
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole with MolForge

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Related Compounds

3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(2,3-dihydroindol-1-yl)-2-(1H-indol-2-yl)-4-(triazin-4-yl)-3H-indole
CID 141145263
6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine
CID 141185380
5-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]-1,3-bis(1-benzothiophen-2-yl)-4-(2H-isoindol-1-yl)indazole
CID 141186216
3-[2-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-2-isoquinolin-1-yl-3H-pyrrol-3-yl]chromen-2-one
CID 141394607

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole (CID 141385587) is 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole is c1csc(N2OC(c3cc4ccccc4[nH]3)=C(c3ccn[nH]3)C2(c2cc3ccccc3o2)c2[nH]nc3ccccc23)c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole?
The InChIKey is IXUPZLJQYYBEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N6O2S/c1-4-11-23-20(8-1)18-26(35-23)31-30(25-15-16-34-36-25)33(39(41-31)29-14-7-17-42-29,28-19-21-9-2-6-13-27(21)40-28)32-22-10-3-5-12-24(22)37-38-32/h1-19,35H,(H,34,36)(H,37,38).
What are the key properties of 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole?
3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole has a molecular weight of 566.65 g/mol, XLogP of 7.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 141385587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).