4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole

C18H17F2NOS — CID 141040160

IUPAC4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole
SMILESCSc1ccc(C2(CF)C(c3ccccc3)=NOC2CF)cc1
InChIInChI=1S/C18H17F2NOS/c1-23-15-9-7-14(8-10-15)18(12-20)16(11-19)22-21-17(18)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyONVNKSLMOFLSRJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.39
Rot. Bonds5

About 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole

4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole (PubChem CID 141040160) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole.

Molecular Properties

Compound Name4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole
PubChem CID141040160
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC Name4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole
SMILESCSc1ccc(C2(CF)C(c3ccccc3)=NOC2CF)cc1
InChIInChI=1S/C18H17F2NOS/c1-23-15-9-7-14(8-10-15)18(12-20)16(11-19)22-21-17(18)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyONVNKSLMOFLSRJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole?
The IUPAC name of 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole (CID 141040160) is 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole.
What is the SMILES notation for 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole?
The canonical SMILES for 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole is CSc1ccc(C2(CF)C(c3ccccc3)=NOC2CF)cc1.
What is the InChIKey of 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole?
The InChIKey is ONVNKSLMOFLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c1-23-15-9-7-14(8-10-15)18(12-20)16(11-19)22-21-17(18)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole?
4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole has a molecular weight of 333.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(fluoromethyl)-4-(4-methylsulfanylphenyl)-3-phenyl-5H-1,2-oxazole is sourced from PubChem (CID 141040160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).