ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

C20H21F3N4O3 — CID 155585098

IUPACethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESCC.Cc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cnc1C(=O)N(C)O
InChIInChI=1S/C18H15F3N4O3.C2H6/c1-10-7-13(8-22-15(10)16(26)25(2)27)24-17-23-9-14(28-17)11-3-5-12(6-4-11)18(19,20)21;1-2/h3-9,27H,1-2H3,(H,23,24);1-2H3
InChIKeyDFVJVOFSPJOEGX-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.29
Rot. Bonds4

About ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (PubChem CID 155585098) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
PubChem CID155585098
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Nameethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESCC.Cc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cnc1C(=O)N(C)O
InChIInChI=1S/C18H15F3N4O3.C2H6/c1-10-7-13(8-22-15(10)16(26)25(2)27)24-17-23-9-14(28-17)11-3-5-12(6-4-11)18(19,20)21;1-2/h3-9,27H,1-2H3,(H,23,24);1-2H3
InChIKeyDFVJVOFSPJOEGX-UHFFFAOYSA-N
XLogP5.29
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (CID 155585098) is ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is CC.Cc1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cnc1C(=O)N(C)O.
What is the InChIKey of ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is DFVJVOFSPJOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3.C2H6/c1-10-7-13(8-22-15(10)16(26)25(2)27)24-17-23-9-14(28-17)11-3-5-12(6-4-11)18(19,20)21;1-2/h3-9,27H,1-2H3,(H,23,24);1-2H3.
What are the key properties of ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155585098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).