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

C17H11N5O2S — CID 141032748

IUPAC3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole
SMILESc1c[nH]c(-c2nc(-c3nccs3)n(-c3ccco3)c2-c2ccon2)c1
InChIInChI=1S/C17H11N5O2S/c1-3-11(18-6-1)14-15(12-5-9-24-21-12)22(13-4-2-8-23-13)16(20-14)17-19-7-10-25-17/h1-10,18H
InChIKeyGARIGJCCOGKFNB-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.24
Rot. Bonds4

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

3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole (PubChem CID 141032748) has the molecular formula C17H11N5O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole
PubChem CID141032748
Molecular FormulaC17H11N5O2S
Molecular Weight349.38 g/mol
Exact Mass349.06
IUPAC Name3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole
SMILESc1c[nH]c(-c2nc(-c3nccs3)n(-c3ccco3)c2-c2ccon2)c1
InChIInChI=1S/C17H11N5O2S/c1-3-11(18-6-1)14-15(12-5-9-24-21-12)22(13-4-2-8-23-13)16(20-14)17-19-7-10-25-17/h1-10,18H
InChIKeyGARIGJCCOGKFNB-UHFFFAOYSA-N
XLogP4.24
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
3-[3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yltriazolidin-4-yl]-1,2-oxazole
CID 141027264
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
2-[4-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazolidin-1-yl]-1,3-oxazole
CID 141041360
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141041729
4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
CID 141082646

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole (CID 141032748) is 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole is c1c[nH]c(-c2nc(-c3nccs3)n(-c3ccco3)c2-c2ccon2)c1.
What is the InChIKey of 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole?
The InChIKey is GARIGJCCOGKFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S/c1-3-11(18-6-1)14-15(12-5-9-24-21-12)22(13-4-2-8-23-13)16(20-14)17-19-7-10-25-17/h1-10,18H.
What are the key properties of 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole?
3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole has a molecular weight of 349.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 141032748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).