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

C24H19N7O3S — CID 141351283

IUPAC4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
SMILESc1c[nH]c(N2OC(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)C2(c2ncco2)c2cccs2)c1
InChIInChI=1S/C24H19N7O3S/c1-6-19(25-8-1)31-24(18-5-3-15-35-18,22-28-12-14-33-22)23(16-7-9-29-30-16,17-4-2-13-32-17)20(34-31)21-26-10-11-27-21/h1-15,20,25H,(H,26,27)(H,29,30)
InChIKeyWXSMZUSEMFJIMR-UHFFFAOYSA-N
MW485.53 g/mol
LogP4.53
Rot. Bonds6

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

4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine (PubChem CID 141351283) has the molecular formula C24H19N7O3S and a molecular weight of 485.53 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
PubChem CID141351283
Molecular FormulaC24H19N7O3S
Molecular Weight485.53 g/mol
Exact Mass485.13
IUPAC Name4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine
SMILESc1c[nH]c(N2OC(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)C2(c2ncco2)c2cccs2)c1
InChIInChI=1S/C24H19N7O3S/c1-6-19(25-8-1)31-24(18-5-3-15-35-18,22-28-12-14-33-22)23(16-7-9-29-30-16,17-4-2-13-32-17)20(34-31)21-26-10-11-27-21/h1-15,20,25H,(H,26,27)(H,29,30)
InChIKeyWXSMZUSEMFJIMR-UHFFFAOYSA-N
XLogP4.53
TPSA124.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The IUPAC name of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine (CID 141351283) is 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine.
What is the SMILES notation for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The canonical SMILES for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine is c1c[nH]c(N2OC(c3ncc[nH]3)C(c3ccn[nH]3)(c3ccco3)C2(c2ncco2)c2cccs2)c1.
What is the InChIKey of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine?
The InChIKey is WXSMZUSEMFJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O3S/c1-6-19(25-8-1)31-24(18-5-3-15-35-18,22-28-12-14-33-22)23(16-7-9-29-30-16,17-4-2-13-32-17)20(34-31)21-26-10-11-27-21/h1-15,20,25H,(H,26,27)(H,29,30).
What are the key properties of 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine?
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine has a molecular weight of 485.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-yl-1,2-oxazolidine is sourced from PubChem (CID 141351283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).