5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole

C16H10F5NO — CID 18701502

IUPAC5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole
SMILESFc1ccc(C2=C(c3ccccc3)N(C(F)(F)F)CO2)cc1F
InChIInChI=1S/C16H10F5NO/c17-12-7-6-11(8-13(12)18)15-14(10-4-2-1-3-5-10)22(9-23-15)16(19,20)21/h1-8H,9H2
InChIKeyOROJPLQXRXGPBN-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.60
Rot. Bonds2

About 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole

5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole (PubChem CID 18701502) has the molecular formula C16H10F5NO and a molecular weight of 327.25 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole
PubChem CID18701502
Molecular FormulaC16H10F5NO
Molecular Weight327.25 g/mol
Exact Mass327.07
IUPAC Name5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole
SMILESFc1ccc(C2=C(c3ccccc3)N(C(F)(F)F)CO2)cc1F
InChIInChI=1S/C16H10F5NO/c17-12-7-6-11(8-13(12)18)15-14(10-4-2-1-3-5-10)22(9-23-15)16(19,20)21/h1-8H,9H2
InChIKeyOROJPLQXRXGPBN-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4,5-diphenyl-1,3-oxazol-2(3H)-one
CID 12345609
1-Methoxy-n,n-dimethyl-1,1-diphenylmethanamine
CID 219164
3-Benzyl-5-(4-fluorophenyl)-4-prop-2-enyl-1,3-oxazol-2-one
CID 60170469
3-Benzyl-5-(4-fluorophenyl)-1,3-oxazol-2-one
CID 101581190
3-[(2-Fluorophenyl)methyl]-5-phenyl-1,3-oxazol-2-one
CID 164685887
2-(3-Methyl-5-phenyloxazolyl) benzene
CID 14031387
3-[(2-Fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
CID 18970430
3-[(4-Fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
CID 18970431
3-[(3-Fluorophenyl)methyl]-4,5-diphenyl-1,3-oxazol-2-one
CID 18970455
4,5-bis(3-fluorophenyl)-3H-1,3-oxazole-2-thione
CID 21408364
4,5-bis(4-fluorophenyl)-3H-1,3-oxazole-2-thione
CID 21408566
4,5-bis(2-fluorophenyl)-3H-1,3-oxazole-2-thione
CID 21408883

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The IUPAC name of 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole (CID 18701502) is 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole.
What is the SMILES notation for 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The canonical SMILES for 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole is Fc1ccc(C2=C(c3ccccc3)N(C(F)(F)F)CO2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole?
The InChIKey is OROJPLQXRXGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NO/c17-12-7-6-11(8-13(12)18)15-14(10-4-2-1-3-5-10)22(9-23-15)16(19,20)21/h1-8H,9H2.
What are the key properties of 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole?
5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole has a molecular weight of 327.25 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-4-phenyl-3-(trifluoromethyl)-2H-1,3-oxazole is sourced from PubChem (CID 18701502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).