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

C17H12F3NO2 — CID 131866937

IUPAC[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-9,22H,10H2
InChIKeyBVDCJZZKJFKFKU-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.52
Rot. Bonds3

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

[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (PubChem CID 131866937) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
PubChem CID131866937
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO2/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-9,22H,10H2
InChIKeyBVDCJZZKJFKFKU-UHFFFAOYSA-N
XLogP4.52
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 131868158
[5-(4-chlorophenyl)-3-phenyl-1,2-oxazol-4-yl]methanol
CID 131868430
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
[3-(3-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868204
[3-(3-fluorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867751
[5-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131866878
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79412634
2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid
CID 82488263
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
[5-(3,4-difluorophenyl)-3-naphthalen-2-yl-1,2-oxazol-4-yl]methanol
CID 131868108
[3-(4-bromophenyl)-5-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868091
[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867191

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (CID 131866937) is [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is OCc1c(-c2ccccc2)noc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is BVDCJZZKJFKFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c18-17(19,20)13-8-6-12(7-9-13)16-14(10-22)15(21-23-16)11-4-2-1-3-5-11/h1-9,22H,10H2.
What are the key properties of [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
[3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 319.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).