2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole

C20H13N3O2S — CID 141031455

IUPAC2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncco3)[nH]c(-c3ccco3)c2-c2cccs2)nc1
InChIInChI=1S/C20H13N3O2S/c1-2-8-21-13(5-1)16-17(15-7-4-12-26-15)18(14-6-3-10-24-14)23-19(16)20-22-9-11-25-20/h1-12,23H
InChIKeyQCJBAVKKXGBPQX-UHFFFAOYSA-N
MW359.41 g/mol
LogP5.72
Rot. Bonds4

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

2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole (PubChem CID 141031455) has the molecular formula C20H13N3O2S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
PubChem CID141031455
Molecular FormulaC20H13N3O2S
Molecular Weight359.41 g/mol
Exact Mass359.07
IUPAC Name2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncco3)[nH]c(-c3ccco3)c2-c2cccs2)nc1
InChIInChI=1S/C20H13N3O2S/c1-2-8-21-13(5-1)16-17(15-7-4-12-26-15)18(14-6-3-10-24-14)23-19(16)20-22-9-11-25-20/h1-12,23H
InChIKeyQCJBAVKKXGBPQX-UHFFFAOYSA-N
XLogP5.72
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole (CID 141031455) is 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole is c1ccc(-c2c(-c3ncco3)[nH]c(-c3ccco3)c2-c2cccs2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole?
The InChIKey is QCJBAVKKXGBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2S/c1-2-8-21-13(5-1)16-17(15-7-4-12-26-15)18(14-6-3-10-24-14)23-19(16)20-22-9-11-25-20/h1-12,23H.
What are the key properties of 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole?
2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole has a molecular weight of 359.41 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-pyridin-2-yl-4-thiophen-2-yl-1H-pyrrol-2-yl]-1,3-oxazole is sourced from PubChem (CID 141031455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).