5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole

C16H14FNO3S — CID 118289563

IUPAC5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO3S/c1-11-5-7-14(8-6-11)22(19,20)16-15(21-10-18-16)12-3-2-4-13(17)9-12/h2-10,15-16H,1H3
InChIKeyNSEDRDCXKFBXNC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.03
Rot. Bonds3

About 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole

5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (PubChem CID 118289563) has the molecular formula C16H14FNO3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
PubChem CID118289563
Molecular FormulaC16H14FNO3S
Molecular Weight319.36 g/mol
Exact Mass319.07
IUPAC Name5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO3S/c1-11-5-7-14(8-6-11)22(19,20)16-15(21-10-18-16)12-3-2-4-13(17)9-12/h2-10,15-16H,1H3
InChIKeyNSEDRDCXKFBXNC-UHFFFAOYSA-N
XLogP3.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (CID 118289563) is 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)C2N=COC2c2cccc(F)c2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NSEDRDCXKFBXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S/c1-11-5-7-14(8-6-11)22(19,20)16-15(21-10-18-16)12-3-2-4-13(17)9-12/h2-10,15-16H,1H3.
What are the key properties of 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole has a molecular weight of 319.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 118289563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).