5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole

C19H21NO3S — CID 71416143

IUPAC5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole
SMILESO=S(CCCCCCc1ccccc1)c1ncc(-c2ccoc2)o1
InChIInChI=1S/C19H21NO3S/c21-24(19-20-14-18(23-19)17-11-12-22-15-17)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-12,14-15H,1-2,4,7-8,13H2
InChIKeyAJBXIDNNTKWUCN-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.85
Rot. Bonds9

About 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole

5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole (PubChem CID 71416143) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole
PubChem CID71416143
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole
SMILESO=S(CCCCCCc1ccccc1)c1ncc(-c2ccoc2)o1
InChIInChI=1S/C19H21NO3S/c21-24(19-20-14-18(23-19)17-11-12-22-15-17)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-12,14-15H,1-2,4,7-8,13H2
InChIKeyAJBXIDNNTKWUCN-UHFFFAOYSA-N
XLogP4.85
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole?
The IUPAC name of 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole (CID 71416143) is 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole.
What is the SMILES notation for 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole?
The canonical SMILES for 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole is O=S(CCCCCCc1ccccc1)c1ncc(-c2ccoc2)o1.
What is the InChIKey of 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole?
The InChIKey is AJBXIDNNTKWUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-24(19-20-14-18(23-19)17-11-12-22-15-17)13-7-2-1-4-8-16-9-5-3-6-10-16/h3,5-6,9-12,14-15H,1-2,4,7-8,13H2.
What are the key properties of 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole?
5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole has a molecular weight of 343.45 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-2-(6-phenylhexylsulfinyl)-1,3-oxazole is sourced from PubChem (CID 71416143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).