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

C20H15N3O2S — CID 140987563

IUPAC2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1ccc(C2=C(c3cccs3)OC(c3ccc[nH]3)(c3ccco3)N2)nc1
InChIInChI=1S/C20H15N3O2S/c1-2-10-21-14(6-1)18-19(15-7-5-13-26-15)25-20(23-18,16-8-3-11-22-16)17-9-4-12-24-17/h1-13,22-23H
InChIKeyKEYGBQHNQYKZHB-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.41
Rot. Bonds4

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

2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole (PubChem CID 140987563) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
PubChem CID140987563
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
SMILESc1ccc(C2=C(c3cccs3)OC(c3ccc[nH]3)(c3ccco3)N2)nc1
InChIInChI=1S/C20H15N3O2S/c1-2-10-21-14(6-1)18-19(15-7-5-13-26-15)25-20(23-18,16-8-3-11-22-16)17-9-4-12-24-17/h1-13,22-23H
InChIKeyKEYGBQHNQYKZHB-UHFFFAOYSA-N
XLogP4.41
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The IUPAC name of 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole (CID 140987563) is 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole.
What is the SMILES notation for 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The canonical SMILES for 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole is c1ccc(C2=C(c3cccs3)OC(c3ccc[nH]3)(c3ccco3)N2)nc1.
What is the InChIKey of 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
The InChIKey is KEYGBQHNQYKZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-2-10-21-14(6-1)18-19(15-7-5-13-26-15)25-20(23-18,16-8-3-11-22-16)17-9-4-12-24-17/h1-13,22-23H.
What are the key properties of 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole?
2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole has a molecular weight of 361.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole is sourced from PubChem (CID 140987563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).