5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole

C16H10F3NO — CID 102005963

IUPAC5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
SMILESFc1cc(Cc2ncc(-c3ccccc3)o2)cc(F)c1F
InChIInChI=1S/C16H10F3NO/c17-12-6-10(7-13(18)16(12)19)8-15-20-9-14(21-15)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyMENOHASNYZFILT-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.35
Rot. Bonds3

About 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole

5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole (PubChem CID 102005963) has the molecular formula C16H10F3NO and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
PubChem CID102005963
Molecular FormulaC16H10F3NO
Molecular Weight289.26 g/mol
Exact Mass289.07
IUPAC Name5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole
SMILESFc1cc(Cc2ncc(-c3ccccc3)o2)cc(F)c1F
InChIInChI=1S/C16H10F3NO/c17-12-6-10(7-13(18)16(12)19)8-15-20-9-14(21-15)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyMENOHASNYZFILT-UHFFFAOYSA-N
XLogP4.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole (CID 102005963) is 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole is Fc1cc(Cc2ncc(-c3ccccc3)o2)cc(F)c1F.
What is the InChIKey of 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole?
The InChIKey is MENOHASNYZFILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO/c17-12-6-10(7-13(18)16(12)19)8-15-20-9-14(21-15)11-4-2-1-3-5-11/h1-7,9H,8H2.
What are the key properties of 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole?
5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole has a molecular weight of 289.26 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(3,4,5-trifluorophenyl)methyl]-1,3-oxazole is sourced from PubChem (CID 102005963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).