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

C23H16N4O2S2 — CID 156779601

IUPAC2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ccco3)C(c3ncco3)=NC(c3ccc[nH]3)=C2c2cccs2)nc1
InChIInChI=1S/C23H16N4O2S2/c1-2-10-25-18(8-1)31(19-9-4-13-28-19)21(17-7-5-15-30-17)20(16-6-3-11-24-16)27-23(31)22-26-12-14-29-22/h1-15,24H
InChIKeyFUJUPQJPNYGNKJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP6.26
Rot. Bonds5

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

2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (PubChem CID 156779601) has the molecular formula C23H16N4O2S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
PubChem CID156779601
Molecular FormulaC23H16N4O2S2
Molecular Weight444.54 g/mol
Exact Mass444.07
IUPAC Name2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
SMILESc1ccc(S2(c3ccco3)C(c3ncco3)=NC(c3ccc[nH]3)=C2c2cccs2)nc1
InChIInChI=1S/C23H16N4O2S2/c1-2-10-25-18(8-1)31(19-9-4-13-28-19)21(17-7-5-15-30-17)20(16-6-3-11-24-16)27-23(31)22-26-12-14-29-22/h1-15,24H
InChIKeyFUJUPQJPNYGNKJ-UHFFFAOYSA-N
XLogP6.26
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 56676111
N-[3-(3-pyridinyloxy)propyl]-2-(2-thienyl)-1,3-thiazole-4-carboxamide
CID 70719812
N-[2-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 139793583
2-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,2-oxazole
CID 141039475
2-[[1-methyl-2-(1,2-oxazol-3-ylmethyl)-5-(1H-pyrrol-2-ylmethyl)-1-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-oxazole
CID 141088242
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
4-(furan-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-3H-1,3-oxazole
CID 141178246
2-[1-(furan-2-yl)-4-(1H-pyrrol-2-yl)-5-(2H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 141189605
2-[1-(furan-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141428487
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
CID 157493225
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole (CID 156779601) is 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is c1ccc(S2(c3ccco3)C(c3ncco3)=NC(c3ccc[nH]3)=C2c2cccs2)nc1.
What is the InChIKey of 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
The InChIKey is FUJUPQJPNYGNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S2/c1-2-10-25-18(8-1)31(19-9-4-13-28-19)21(17-7-5-15-30-17)20(16-6-3-11-24-16)27-23(31)22-26-12-14-29-22/h1-15,24H.
What are the key properties of 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole?
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole has a molecular weight of 444.54 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 156779601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).