2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol

C23H16F3NO2 — CID 174428561

IUPAC2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C23H16F3NO2/c1-14-21(19-13-17(9-12-20(19)28)15-5-3-2-4-6-15)27-22(29-14)16-7-10-18(11-8-16)23(24,25)26/h2-13,28H,1H3
InChIKeyZCZSSANQAYEFRT-UHFFFAOYSA-N
MW395.38 g/mol
LogP6.71
Rot. Bonds3

About 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol

2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol (PubChem CID 174428561) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol
PubChem CID174428561
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C23H16F3NO2/c1-14-21(19-13-17(9-12-20(19)28)15-5-3-2-4-6-15)27-22(29-14)16-7-10-18(11-8-16)23(24,25)26/h2-13,28H,1H3
InChIKeyZCZSSANQAYEFRT-UHFFFAOYSA-N
XLogP6.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[(4-phenylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 175236922
4-(4-bromophenyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 10691278
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
ethyl 5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxylate
CID 169400092
4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 122226601
4-hydroxy-3-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 135924137
5-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carboxamide
CID 169403087
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
5-methyl-4-(2-naphthalen-1-yloxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 151600448
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol (CID 174428561) is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol?
The InChIKey is ZCZSSANQAYEFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c1-14-21(19-13-17(9-12-20(19)28)15-5-3-2-4-6-15)27-22(29-14)16-7-10-18(11-8-16)23(24,25)26/h2-13,28H,1H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol?
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol has a molecular weight of 395.38 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol is sourced from PubChem (CID 174428561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).