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

C27H19N7O3S3 — CID 141041360

IUPAC2-[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
SMILESc1c[nH]c(C2(c3ccsn3)N(c3ncco3)C(c3ccon3)C(c3ccco3)(c3nccs3)N2c2cccs2)c1
InChIInChI=1S/C27H19N7O3S3/c1-4-19(28-9-1)27(20-8-16-40-32-20)33(25-30-10-14-36-25)23(18-7-13-37-31-18)26(21-5-2-12-35-21,24-29-11-17-39-24)34(27)22-6-3-15-38-22/h1-17,23,28H
InChIKeyKYFZJIPEYOCUCR-UHFFFAOYSA-N
MW585.70 g/mol
LogP6.47
Rot. Bonds7

About 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

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 (PubChem CID 141041360) has the molecular formula C27H19N7O3S3 and a molecular weight of 585.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141041360
Molecular FormulaC27H19N7O3S3
Molecular Weight585.70 g/mol
Exact Mass585.07
IUPAC Name2-[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
SMILESc1c[nH]c(C2(c3ccsn3)N(c3ncco3)C(c3ccon3)C(c3ccco3)(c3nccs3)N2c2cccs2)c1
InChIInChI=1S/C27H19N7O3S3/c1-4-19(28-9-1)27(20-8-16-40-32-20)33(25-30-10-14-36-25)23(18-7-13-37-31-18)26(21-5-2-12-35-21,24-29-11-17-39-24)34(27)22-6-3-15-38-22/h1-17,23,28H
InChIKeyKYFZJIPEYOCUCR-UHFFFAOYSA-N
XLogP6.47
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500585.70
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1c[nH]c(C2(c3ccsn3)N(c3ncco3)C(c3ccon3)C(c3ccco3)(c3nccs3)N2c2cccs2)c1.
What is the InChIKey of 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?
The InChIKey is KYFZJIPEYOCUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O3S3/c1-4-19(28-9-1)27(20-8-16-40-32-20)33(25-30-10-14-36-25)23(18-7-13-37-31-18)26(21-5-2-12-35-21,24-29-11-17-39-24)34(27)22-6-3-15-38-22/h1-17,23,28H.
What are the key properties of 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?
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 has a molecular weight of 585.70 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141041360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).