7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol

C17H20F3NO2 — CID 67300739

IUPAC7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1nc(C(F)(F)F)co1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,22H,1-2,4,7-8,11H2
InChIKeyACFJOMGXIPCCKI-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.92
Rot. Bonds8

About 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol

7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol (PubChem CID 67300739) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol.

Molecular Properties

Compound Name7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol
PubChem CID67300739
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1nc(C(F)(F)F)co1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,22H,1-2,4,7-8,11H2
InChIKeyACFJOMGXIPCCKI-UHFFFAOYSA-N
XLogP4.92
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
CID 58369498
1-(4-methylsulfanyl-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
CID 44554443
7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-one
CID 44554787
15-phenylpentadecane-1,1-diol
CID 139927269
2,2,2-trifluoro-1-[2-(7-phenylheptyl)-1,3-oxazol-4-yl]ethanone
CID 68990767
2-hydroxy-8-phenyloctanamide
CID 66822616
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
CID 142718229
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
2-(8-phenyloctyl)propanedioic acid
CID 20544236
7-phenyl-1-[4-(2,2,2-trifluoroacetyl)-1,3-oxazol-2-yl]heptan-2-one
CID 91176666
4-phenylbutylbenzene
CID 141301927
2-methyl-7-phenylheptan-3-ol
CID 10976646

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol?
The IUPAC name of 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol (CID 67300739) is 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol.
What is the SMILES notation for 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol?
The canonical SMILES for 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol is OC(CCCCCCc1ccccc1)c1nc(C(F)(F)F)co1.
What is the InChIKey of 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol?
The InChIKey is ACFJOMGXIPCCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)15-12-23-16(21-15)14(22)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,22H,1-2,4,7-8,11H2.
What are the key properties of 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol?
7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol has a molecular weight of 327.35 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol is sourced from PubChem (CID 67300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).