2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C16H10F3N3O3 — CID 86789899

IUPAC2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3cc(F)c(F)c(O)c3F)cc2)o1
InChIInChI=1S/C16H10F3N3O3/c1-7-21-22-16(25-7)8-2-4-9(5-3-8)20-15(24)10-6-11(17)13(19)14(23)12(10)18/h2-6,23H,1H3,(H,20,24)
InChIKeyDWNHFDBRFSUGPI-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.42
Rot. Bonds3

About 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 86789899) has the molecular formula C16H10F3N3O3 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID86789899
Molecular FormulaC16H10F3N3O3
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(NC(=O)c3cc(F)c(F)c(O)c3F)cc2)o1
InChIInChI=1S/C16H10F3N3O3/c1-7-21-22-16(25-7)8-2-4-9(5-3-8)20-15(24)10-6-11(17)13(19)14(23)12(10)18/h2-6,23H,1H3,(H,20,24)
InChIKeyDWNHFDBRFSUGPI-UHFFFAOYSA-N
XLogP3.42
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide
CID 106912207
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 155951507
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 25284211
3-(2,5-dimethyl-1H-imidazol-4-yl)-5-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide;formic acid
CID 171707356
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115912202
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 86789899) is 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(NC(=O)c3cc(F)c(F)c(O)c3F)cc2)o1.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is DWNHFDBRFSUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3/c1-7-21-22-16(25-7)8-2-4-9(5-3-8)20-15(24)10-6-11(17)13(19)14(23)12(10)18/h2-6,23H,1H3,(H,20,24).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 349.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 86789899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).