5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole

C21H17NO4S — CID 42891183

IUPAC5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1cc(-c2ccco2)on1)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17NO4S/c23-27(15-17-13-21(26-22-17)20-11-6-12-24-20)14-16-7-4-5-10-19(16)25-18-8-2-1-3-9-18/h1-13H,14-15H2
InChIKeyZNGONKGMHWPWGH-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.18
Rot. Bonds7

About 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole

5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole (PubChem CID 42891183) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole
PubChem CID42891183
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole
SMILESO=S(Cc1cc(-c2ccco2)on1)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17NO4S/c23-27(15-17-13-21(26-22-17)20-11-6-12-24-20)14-16-7-4-5-10-19(16)25-18-8-2-1-3-9-18/h1-13H,14-15H2
InChIKeyZNGONKGMHWPWGH-UHFFFAOYSA-N
XLogP5.18
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole (CID 42891183) is 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole is O=S(Cc1cc(-c2ccco2)on1)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole?
The InChIKey is ZNGONKGMHWPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c23-27(15-17-13-21(26-22-17)20-11-6-12-24-20)14-16-7-4-5-10-19(16)25-18-8-2-1-3-9-18/h1-13H,14-15H2.
What are the key properties of 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole?
5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole has a molecular weight of 379.44 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(2-phenoxyphenyl)methylsulfinylmethyl]-1,2-oxazole is sourced from PubChem (CID 42891183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).