2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide

C22H22FN3O5 — CID 58354391

IUPAC2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide
SMILESCc1cc(CCC(=O)C(C)(OCc2ccc(-c3ccc(F)cn3)cc2)C(=O)NO)no1
InChIInChI=1S/C22H22FN3O5/c1-14-11-18(26-31-14)8-10-20(27)22(2,21(28)25-29)30-13-15-3-5-16(6-4-15)19-9-7-17(23)12-24-19/h3-7,9,11-12,29H,8,10,13H2,1-2H3,(H,25,28)
InChIKeyAQTGRZVLQBYMMT-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.17
Rot. Bonds9

About 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide

2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide (PubChem CID 58354391) has the molecular formula C22H22FN3O5 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide.

Molecular Properties

Compound Name2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide
PubChem CID58354391
Molecular FormulaC22H22FN3O5
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide
SMILESCc1cc(CCC(=O)C(C)(OCc2ccc(-c3ccc(F)cn3)cc2)C(=O)NO)no1
InChIInChI=1S/C22H22FN3O5/c1-14-11-18(26-31-14)8-10-20(27)22(2,21(28)25-29)30-13-15-3-5-16(6-4-15)19-9-7-17(23)12-24-19/h3-7,9,11-12,29H,8,10,13H2,1-2H3,(H,25,28)
InChIKeyAQTGRZVLQBYMMT-UHFFFAOYSA-N
XLogP3.17
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide?
The IUPAC name of 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide (CID 58354391) is 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide.
What is the SMILES notation for 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide?
The canonical SMILES for 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide is Cc1cc(CCC(=O)C(C)(OCc2ccc(-c3ccc(F)cn3)cc2)C(=O)NO)no1.
What is the InChIKey of 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide?
The InChIKey is AQTGRZVLQBYMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5/c1-14-11-18(26-31-14)8-10-20(27)22(2,21(28)25-29)30-13-15-3-5-16(6-4-15)19-9-7-17(23)12-24-19/h3-7,9,11-12,29H,8,10,13H2,1-2H3,(H,25,28).
What are the key properties of 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide?
2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide has a molecular weight of 427.43 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-2-pyridinyl)phenyl]methoxy]-N-hydroxy-2-methyl-5-(5-methyl-1,2-oxazol-3-yl)-3-oxopentanamide is sourced from PubChem (CID 58354391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).