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

C17H16FNOS — CID 11781593

IUPAC5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccc(F)cc3)ON(C)C2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-11-16(12-5-9-15(21-2)10-6-12)17(20-19)13-3-7-14(18)8-4-13/h3-10H,11H2,1-2H3
InChIKeyFLGWFABBDZZNTQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.29
Rot. Bonds3

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

5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole (PubChem CID 11781593) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole
PubChem CID11781593
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccc(F)cc3)ON(C)C2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-11-16(12-5-9-15(21-2)10-6-12)17(20-19)13-3-7-14(18)8-4-13/h3-10H,11H2,1-2H3
InChIKeyFLGWFABBDZZNTQ-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole (CID 11781593) is 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole is CSc1ccc(C2=C(c3ccc(F)cc3)ON(C)C2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
The InChIKey is FLGWFABBDZZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-11-16(12-5-9-15(21-2)10-6-12)17(20-19)13-3-7-14(18)8-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole?
5-(4-fluorophenyl)-2-methyl-4-(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 5-(4-fluorophenyl)-2-methyl-4-(4-methylsulfanylphenyl)-3H-1,2-oxazole is sourced from PubChem (CID 11781593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).