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

C27H20N8O2S3 — CID 141279415

IUPAC5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
SMILESc1c[nH]c(N2C(c3ccsn3)(c3ncc[nH]3)OC(c3ccn[nH]3)(c3ccco3)C2(c2cccs2)c2nccs2)c1
InChIInChI=1S/C27H20N8O2S3/c1-6-22(28-9-1)35-25(21-5-3-15-38-21,24-31-13-17-39-24)26(18-7-10-32-33-18,20-4-2-14-36-20)37-27(35,19-8-16-40-34-19)23-29-11-12-30-23/h1-17,28H,(H,29,30)(H,32,33)
InChIKeyABQBGJBWLYFHLF-UHFFFAOYSA-N
MW584.71 g/mol
LogP5.65
Rot. Bonds7

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

5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine (PubChem CID 141279415) has the molecular formula C27H20N8O2S3 and a molecular weight of 584.71 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
PubChem CID141279415
Molecular FormulaC27H20N8O2S3
Molecular Weight584.71 g/mol
Exact Mass584.09
IUPAC Name5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
SMILESc1c[nH]c(N2C(c3ccsn3)(c3ncc[nH]3)OC(c3ccn[nH]3)(c3ccco3)C2(c2cccs2)c2nccs2)c1
InChIInChI=1S/C27H20N8O2S3/c1-6-22(28-9-1)35-25(21-5-3-15-38-21,24-31-13-17-39-24)26(18-7-10-32-33-18,20-4-2-14-36-20)37-27(35,19-8-16-40-34-19)23-29-11-12-30-23/h1-17,28H,(H,29,30)(H,32,33)
InChIKeyABQBGJBWLYFHLF-UHFFFAOYSA-N
XLogP5.65
TPSA124.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.71
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine (CID 141279415) is 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine is c1c[nH]c(N2C(c3ccsn3)(c3ncc[nH]3)OC(c3ccn[nH]3)(c3ccco3)C2(c2cccs2)c2nccs2)c1.
What is the InChIKey of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is ABQBGJBWLYFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N8O2S3/c1-6-22(28-9-1)35-25(21-5-3-15-38-21,24-31-13-17-39-24)26(18-7-10-32-33-18,20-4-2-14-36-20)37-27(35,19-8-16-40-34-19)23-29-11-12-30-23/h1-17,28H,(H,29,30)(H,32,33).
What are the key properties of 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine?
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 584.71 g/mol, XLogP of 5.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 141279415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).