5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole

C19H19N3O2S — CID 141197743

IUPAC5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ccco3)OC(c3cccs3)(N3CCCC3)N2)c1
InChIInChI=1S/C19H19N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h3-9,12-13,20-21H,1-2,10-11H2
InChIKeyCDFVUWZPPXTUMA-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.02
Rot. Bonds4

About 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole

5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 141197743) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
PubChem CID141197743
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ccco3)OC(c3cccs3)(N3CCCC3)N2)c1
InChIInChI=1S/C19H19N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h3-9,12-13,20-21H,1-2,10-11H2
InChIKeyCDFVUWZPPXTUMA-UHFFFAOYSA-N
XLogP4.02
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole (CID 141197743) is 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole is c1c[nH]c(C2=C(c3ccco3)OC(c3cccs3)(N3CCCC3)N2)c1.
What is the InChIKey of 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is CDFVUWZPPXTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-11-22(10-1)19(16-8-5-13-25-16)21-17(14-6-3-9-20-14)18(24-19)15-7-4-12-23-15/h3-9,12-13,20-21H,1-2,10-11H2.
What are the key properties of 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole?
5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 353.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 141197743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).