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

C16H13F2NO3S — CID 155254803

IUPAC5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO3S/c1-10-2-5-12(6-3-10)23(20,21)16-15(22-9-19-16)11-4-7-13(17)14(18)8-11/h2-9,15-16H,1H3
InChIKeyNLECAKGZLZDXQM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.17
Rot. Bonds3

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

5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (PubChem CID 155254803) has the molecular formula C16H13F2NO3S and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
PubChem CID155254803
Molecular FormulaC16H13F2NO3S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO3S/c1-10-2-5-12(6-3-10)23(20,21)16-15(22-9-19-16)11-4-7-13(17)14(18)8-11/h2-9,15-16H,1H3
InChIKeyNLECAKGZLZDXQM-UHFFFAOYSA-N
XLogP3.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole (CID 155254803) is 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)C2N=COC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NLECAKGZLZDXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S/c1-10-2-5-12(6-3-10)23(20,21)16-15(22-9-19-16)11-4-7-13(17)14(18)8-11/h2-9,15-16H,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole?
5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole has a molecular weight of 337.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).