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

C23H18N8O2S2 — CID 141002498

IUPAC3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1c[nH]c(C2(c3nccs3)C(c3ncc[nH]3)OC(c3ccsn3)(c3ccn[nH]3)N2c2ccco2)c1
InChIInChI=1S/C23H18N8O2S2/c1-3-15(24-7-1)22(21-27-11-14-34-21)19(20-25-9-10-26-20)33-23(16-5-8-28-29-16,17-6-13-35-30-17)31(22)18-4-2-12-32-18/h1-14,19,24H,(H,25,26)(H,28,29)
InChIKeyCNCJBHOEGHGGOB-UHFFFAOYSA-N
MW502.59 g/mol
LogP4.39
Rot. Bonds6

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

3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 141002498) has the molecular formula C23H18N8O2S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
PubChem CID141002498
Molecular FormulaC23H18N8O2S2
Molecular Weight502.59 g/mol
Exact Mass502.10
IUPAC Name3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1c[nH]c(C2(c3nccs3)C(c3ncc[nH]3)OC(c3ccsn3)(c3ccn[nH]3)N2c2ccco2)c1
InChIInChI=1S/C23H18N8O2S2/c1-3-15(24-7-1)22(21-27-11-14-34-21)19(20-25-9-10-26-20)33-23(16-5-8-28-29-16,17-6-13-35-30-17)31(22)18-4-2-12-32-18/h1-14,19,24H,(H,25,26)(H,28,29)
InChIKeyCNCJBHOEGHGGOB-UHFFFAOYSA-N
XLogP4.39
TPSA124.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 141002498) is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The canonical SMILES for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine is c1c[nH]c(C2(c3nccs3)C(c3ncc[nH]3)OC(c3ccsn3)(c3ccn[nH]3)N2c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The InChIKey is CNCJBHOEGHGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2S2/c1-3-15(24-7-1)22(21-27-11-14-34-21)19(20-25-9-10-26-20)33-23(16-5-8-28-29-16,17-6-13-35-30-17)31(22)18-4-2-12-32-18/h1-14,19,24H,(H,25,26)(H,28,29).
What are the key properties of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine?
3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 502.59 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 141002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).