[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol

C16H11F3N2O4 — CID 167105376

IUPAC[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2noc(-c3cccc(OC(F)(F)F)c3)n2)c1
InChIInChI=1S/C16H11F3N2O4/c17-16(18,19)24-12-6-2-4-10(8-12)14-20-13(21-25-14)9-3-1-5-11(7-9)15(22)23/h1-8,15,22-23H
InChIKeyFHNQHSGYZZNFCJ-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.29
Rot. Bonds4

About [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol

[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol (PubChem CID 167105376) has the molecular formula C16H11F3N2O4 and a molecular weight of 352.27 g/mol. Its IUPAC name is [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol.

Molecular Properties

Compound Name[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol
PubChem CID167105376
Molecular FormulaC16H11F3N2O4
Molecular Weight352.27 g/mol
Exact Mass352.07
IUPAC Name[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2noc(-c3cccc(OC(F)(F)F)c3)n2)c1
InChIInChI=1S/C16H11F3N2O4/c17-16(18,19)24-12-6-2-4-10(8-12)14-20-13(21-25-14)9-3-1-5-11(7-9)15(22)23/h1-8,15,22-23H
InChIKeyFHNQHSGYZZNFCJ-UHFFFAOYSA-N
XLogP3.29
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
2-[(3S)-6-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 68770360
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]propanedioic acid
CID 171475871
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole
CID 93328876
5-[chloro(difluoro)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 175189888
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
2-fluoro-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 155580349
tert-butyl 2-[7-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl]acetate
CID 68638798

Frequently Asked Questions

What is the IUPAC name of [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The IUPAC name of [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol (CID 167105376) is [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol.
What is the SMILES notation for [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The canonical SMILES for [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol is OC(O)c1cccc(-c2noc(-c3cccc(OC(F)(F)F)c3)n2)c1.
What is the InChIKey of [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
The InChIKey is FHNQHSGYZZNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4/c17-16(18,19)24-12-6-2-4-10(8-12)14-20-13(21-25-14)9-3-1-5-11(7-9)15(22)23/h1-8,15,22-23H.
What are the key properties of [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol?
[3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol has a molecular weight of 352.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanediol is sourced from PubChem (CID 167105376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).