(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole

C21H19NO4S — CID 166443803

IUPAC(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)C[C@@]2(c3ccco3)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C21H19NO4S/c1-16-9-11-18(12-10-16)27(23,24)15-21(20-8-5-13-25-20)14-19(22-26-21)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3/t21-/m1/s1
InChIKeyHCSFHPRXUDDSAF-OAQYLSRUSA-N
MW381.45 g/mol
LogP4.08
Rot. Bonds5

About (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole

(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole (PubChem CID 166443803) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole
PubChem CID166443803
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)C[C@@]2(c3ccco3)CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C21H19NO4S/c1-16-9-11-18(12-10-16)27(23,24)15-21(20-8-5-13-25-20)14-19(22-26-21)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3/t21-/m1/s1
InChIKeyHCSFHPRXUDDSAF-OAQYLSRUSA-N
XLogP4.08
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole?
The IUPAC name of (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole (CID 166443803) is (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole is Cc1ccc(S(=O)(=O)C[C@@]2(c3ccco3)CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole?
The InChIKey is HCSFHPRXUDDSAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-16-9-11-18(12-10-16)27(23,24)15-21(20-8-5-13-25-20)14-19(22-26-21)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3/t21-/m1/s1.
What are the key properties of (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole?
(5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole has a molecular weight of 381.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(furan-2-yl)-5-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 166443803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).