3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C21H15F3N2O2 — CID 155414487

IUPAC3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)=NO1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)20(27)13-19(26-28-20)16-8-6-14(7-9-16)17-10-11-25-18(12-17)15-4-2-1-3-5-15/h1-12,27H,13H2
InChIKeyVWJGKEHKSHOHTF-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.79
Rot. Bonds3

About 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155414487) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155414487
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)=NO1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)20(27)13-19(26-28-20)16-8-6-14(7-9-16)17-10-11-25-18(12-17)15-4-2-1-3-5-15/h1-12,27H,13H2
InChIKeyVWJGKEHKSHOHTF-UHFFFAOYSA-N
XLogP4.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155414487) is 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)=NO1.
What is the InChIKey of 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is VWJGKEHKSHOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)20(27)13-19(26-28-20)16-8-6-14(7-9-16)17-10-11-25-18(12-17)15-4-2-1-3-5-15/h1-12,27H,13H2.
What are the key properties of 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 384.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155414487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).