4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole

C17H17FN2O3S — CID 19844281

IUPAC4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccnc1C1=NC(CF)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C17H17FN2O3S/c1-11-4-3-9-19-15(11)17-20-14(10-18)16(23-17)12-5-7-13(8-6-12)24(2,21)22/h3-9,14,16H,10H2,1-2H3
InChIKeyNUWJOUZDXMAMAL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.65
Rot. Bonds4

About 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole

4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19844281) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID19844281
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1cccnc1C1=NC(CF)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C17H17FN2O3S/c1-11-4-3-9-19-15(11)17-20-14(10-18)16(23-17)12-5-7-13(8-6-12)24(2,21)22/h3-9,14,16H,10H2,1-2H3
InChIKeyNUWJOUZDXMAMAL-UHFFFAOYSA-N
XLogP2.65
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole (CID 19844281) is 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole is Cc1cccnc1C1=NC(CF)C(c2ccc(S(C)(=O)=O)cc2)O1.
What is the InChIKey of 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NUWJOUZDXMAMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11-4-3-9-19-15(11)17-20-14(10-18)16(23-17)12-5-7-13(8-6-12)24(2,21)22/h3-9,14,16H,10H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole?
4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 348.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(3-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19844281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).