3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine

C23H20N6O4S — CID 140995195

IUPAC3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESc1coc(C2ON(c3nccs3)C(c3ncco3)(N3CCC3)C2(c2ncc[nH]2)c2ccco2)c1
InChIInChI=1S/C23H20N6O4S/c1-4-16(30-12-1)18-22(17-5-2-13-31-17,19-24-6-7-25-19)23(28-10-3-11-28,20-26-8-14-32-20)29(33-18)21-27-9-15-34-21/h1-2,4-9,12-15,18H,3,10-11H2,(H,24,25)
InChIKeyIJCAJEZEQSAPPA-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.08
Rot. Bonds6

About 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine

3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine (PubChem CID 140995195) has the molecular formula C23H20N6O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
PubChem CID140995195
Molecular FormulaC23H20N6O4S
Molecular Weight476.52 g/mol
Exact Mass476.13
IUPAC Name3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESc1coc(C2ON(c3nccs3)C(c3ncco3)(N3CCC3)C2(c2ncc[nH]2)c2ccco2)c1
InChIInChI=1S/C23H20N6O4S/c1-4-16(30-12-1)18-22(17-5-2-13-31-17,19-24-6-7-25-19)23(28-10-3-11-28,20-26-8-14-32-20)29(33-18)21-27-9-15-34-21/h1-2,4-9,12-15,18H,3,10-11H2,(H,24,25)
InChIKeyIJCAJEZEQSAPPA-UHFFFAOYSA-N
XLogP4.08
TPSA109.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The IUPAC name of 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine (CID 140995195) is 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine.
What is the SMILES notation for 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The canonical SMILES for 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine is c1coc(C2ON(c3nccs3)C(c3ncco3)(N3CCC3)C2(c2ncc[nH]2)c2ccco2)c1.
What is the InChIKey of 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The InChIKey is IJCAJEZEQSAPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4S/c1-4-16(30-12-1)18-22(17-5-2-13-31-17,19-24-6-7-25-19)23(28-10-3-11-28,20-26-8-14-32-20)29(33-18)21-27-9-15-34-21/h1-2,4-9,12-15,18H,3,10-11H2,(H,24,25).
What are the key properties of 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine?
3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine has a molecular weight of 476.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-4,5-bis(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 140995195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).