N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

C17H14F3N3O5 — CID 90976855

IUPACN-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NO)nc2)NO1
InChIInChI=1S/C17H14F3N3O5/c1-16(10-2-4-11(5-3-10)27-17(18,19)20)8-14(23-28-16)26-12-6-7-13(21-9-12)15(24)22-25/h2-9,23,25H,1H3,(H,22,24)
InChIKeyWITARHICHINIHA-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.77
Rot. Bonds5

About N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (PubChem CID 90976855) has the molecular formula C17H14F3N3O5 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
PubChem CID90976855
Molecular FormulaC17H14F3N3O5
Molecular Weight397.31 g/mol
Exact Mass397.09
IUPAC NameN-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NO)nc2)NO1
InChIInChI=1S/C17H14F3N3O5/c1-16(10-2-4-11(5-3-10)27-17(18,19)20)8-14(23-28-16)26-12-6-7-13(21-9-12)15(24)22-25/h2-9,23,25H,1H3,(H,22,24)
InChIKeyWITARHICHINIHA-UHFFFAOYSA-N
XLogP2.77
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 90970036
5-methyl-3-[(6-methylsulfonyl-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
CID 90732806
(5R)-5-methyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazole
CID 123388479
N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 123616731
2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
CID 90750191
N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 58126279
N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 123157281
N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
CID 91554671
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 19860744
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
methyl 2-[[5-[[(5R)-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carbonyl]amino]acetate
CID 88979581
2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
CID 135125786

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (CID 90976855) is N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is CC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NO)nc2)NO1.
What is the InChIKey of N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The InChIKey is WITARHICHINIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5/c1-16(10-2-4-11(5-3-10)27-17(18,19)20)8-14(23-28-16)26-12-6-7-13(21-9-12)15(24)22-25/h2-9,23,25H,1H3,(H,22,24).
What are the key properties of N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide has a molecular weight of 397.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 90976855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).