4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole

C17H16FNOS — CID 10924616

IUPAC4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccc(F)cc3)CN(C)O2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-11-16(12-3-7-14(18)8-4-12)17(20-19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyKREAMEYGISLUJJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.29
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole

4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole (PubChem CID 10924616) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole
PubChem CID10924616
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccc(F)cc3)CN(C)O2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-11-16(12-3-7-14(18)8-4-12)17(20-19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyKREAMEYGISLUJJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2,3-dimethyl-2,3-dihydro-isoxazole
CID 10020588
5-(4-Methanesulfonyl-phenyl)-2,3-dimethyl-4-phenyl-2,3-dihydro-isoxazole
CID 10381921
5-(4-Fluoro-phenyl)-2-methyl-4-phenyl-2,3-dihydro-isoxazole
CID 10901219
4-(4-Methanesulfonyl-phenyl)-2-methyl-5-phenyl-2,3-dihydro-isoxazole
CID 10860016
4-(4-Fluoro-phenyl)-2-methyl-5-phenyl-2,3-dihydro-isoxazole
CID 11097158
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-2,3-dihydro-isoxazole
CID 10947004
2-methyl-5-(4-methylsulfanylphenyl)-4-phenyl-3H-1,2-oxazole
CID 11140598
2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole
CID 10891357
4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
CID 10912676
5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole
CID 11781593
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3H-1,2-oxazole
CID 69786259
4-(4-Fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-5-ol
CID 10471079

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole (CID 10924616) is 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole is CSc1ccc(C2=C(c3ccc(F)cc3)CN(C)O2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The InChIKey is KREAMEYGISLUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-11-16(12-3-7-14(18)8-4-12)17(20-19)13-5-9-15(21-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfanylphenyl)-3H-1,2-oxazole is sourced from PubChem (CID 10924616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).