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

C24H24N8O2S — CID 141027264

IUPAC3-[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
SMILESc1c[nH]c(N2N(N3CCCC3)C(c3ncc[nH]3)C(c3ccon3)(c3cccs3)N2c2ccco2)c1
InChIInChI=1S/C24H24N8O2S/c1-2-14-29(13-1)32-22(23-26-11-12-27-23)24(18-9-16-34-28-18,19-6-5-17-35-19)30(21-8-4-15-33-21)31(32)20-7-3-10-25-20/h3-12,15-17,22,25H,1-2,13-14H2,(H,26,27)
InChIKeyDYPGRELQIFSPTC-UHFFFAOYSA-N
MW488.58 g/mol
LogP4.53
Rot. Bonds6

About 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

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 (PubChem CID 141027264) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID141027264
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC Name3-[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
SMILESc1c[nH]c(N2N(N3CCCC3)C(c3ncc[nH]3)C(c3ccon3)(c3cccs3)N2c2ccco2)c1
InChIInChI=1S/C24H24N8O2S/c1-2-14-29(13-1)32-22(23-26-11-12-27-23)24(18-9-16-34-28-18,19-6-5-17-35-19)30(21-8-4-15-33-21)31(32)20-7-3-10-25-20/h3-12,15-17,22,25H,1-2,13-14H2,(H,26,27)
InChIKeyDYPGRELQIFSPTC-UHFFFAOYSA-N
XLogP4.53
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
CID 140973569
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
4-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-5-thiophen-2-yl-1,2,5-oxadiazolidine
CID 140998023
4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
CID 141002534
3-[3-(furan-2-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)imidazol-4-yl]-1,2-oxazole
CID 141032748
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
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)triazolidin-2-yl]-1,3-oxazole
CID 141048009
2-[5-[5-(furan-2-yl)-2H-triazol-4-yl]-4-(1H-imidazol-2-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yltetrazolidin-2-yl]-1,3-oxazole
CID 141050971
3-[5-(1H-benzimidazol-2-yl)-1-(1-benzofuran-2-yl)-3-(1,2-oxazol-3-yl)-2-(1,3-thiazol-2-yl)triazol-4-yl]-1,2-benzoxazole
CID 141059892
3-[3-(furan-2-yl)-3-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-2-(2H-triazol-4-yl)pyrazolidin-4-yl]-1,2-oxazole
CID 141066949

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(N2N(N3CCCC3)C(c3ncc[nH]3)C(c3ccon3)(c3cccs3)N2c2ccco2)c1.
What is the InChIKey of 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?
The InChIKey is DYPGRELQIFSPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-2-14-29(13-1)32-22(23-26-11-12-27-23)24(18-9-16-34-28-18,19-6-5-17-35-19)30(21-8-4-15-33-21)31(32)20-7-3-10-25-20/h3-12,15-17,22,25H,1-2,13-14H2,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 488.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141027264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).