4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole

C16H13F3N2O3S — CID 155254688

IUPAC4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H13F3N2O3S/c1-10-2-5-12(6-3-10)25(22,23)15-14(24-9-21-15)11-4-7-13(20-8-11)16(17,18)19/h2-9,14-15H,1H3
InChIKeyHPILEJUFDJOSEP-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.31
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole

4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 155254688) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID155254688
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC Name4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)C2N=COC2c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H13F3N2O3S/c1-10-2-5-12(6-3-10)25(22,23)15-14(24-9-21-15)11-4-7-13(20-8-11)16(17,18)19/h2-9,14-15H,1H3
InChIKeyHPILEJUFDJOSEP-UHFFFAOYSA-N
XLogP3.31
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 155254688) is 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)C2N=COC2c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HPILEJUFDJOSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c1-10-2-5-12(6-3-10)25(22,23)15-14(24-9-21-15)11-4-7-13(20-8-11)16(17,18)19/h2-9,14-15H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole?
4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 370.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-5-[6-(trifluoromethyl)-3-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155254688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).