(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide

C21H19F3N4O4 — CID 10275545

IUPAC(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)20-26-15-3-1-2-4-17(15)28(20)9-12-5-7-13(8-6-12)18(29)25-16-11-32-10-14(16)19(30)27-31/h1-8,14,16,31H,9-11H2,(H,25,29)(H,27,30)/t14-,16+/m0/s1
InChIKeyJADBDFQEPJQPBJ-GOEBONIOSA-N
MW448.40 g/mol
LogP2.35
Rot. Bonds5

About (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide

(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide (PubChem CID 10275545) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide
PubChem CID10275545
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC Name(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C21H19F3N4O4/c22-21(23,24)20-26-15-3-1-2-4-17(15)28(20)9-12-5-7-13(8-6-12)18(29)25-16-11-32-10-14(16)19(30)27-31/h1-8,14,16,31H,9-11H2,(H,25,29)(H,27,30)/t14-,16+/m0/s1
InChIKeyJADBDFQEPJQPBJ-GOEBONIOSA-N
XLogP2.35
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
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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Related Compounds

(5R,7R,8S)-7-N-(4-{[2-(2-fluoropropan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)-8-N-hydroxy-1-oxaspiro[4.4]nonane-7,8-dicarboxamide
CID 10117481
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-({4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}amido)pyrrolidine-1-carboxylate
CID 10163627
tert-butyl (3S,4S)-3-(hydroxycarbamoyl)-4-[(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)amido]pyrrolidine-1-carboxylate
CID 10208262
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzamide
CID 10273657
(3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}pyrrolidine-3,4-dicarboxamide
CID 10135184
(3S,4S)-3-N-hydroxy-1-(prop-2-yn-1-yl)-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10139402
(3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)oxane-3,4-diamido
CID 10160197
(5R,7S,8R)-7-N-hydroxy-8-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)-1-oxaspiro[4.4]nonane-7,8-dicarboxamide
CID 10184071
4-[(2-cyclopropyl-1H-1,3-benzodiazol-1-yl)methyl]-N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]benzamide
CID 10223774
(5R,7R,8S)-7-N-{4-[(2-tert-butyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}-8-N-hydroxy-1-oxaspiro[4.4]nonane-7,8-dicarboxamide
CID 10228228
(3S,4S)-3-N-hydroxy-4-N-(4-{[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10273985
(3S,4S)-3-N-{4-[(2-tert-butyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}-4-N-hydroxy-1-(prop-2-yn-1-yl)pyrrolidine-3,4-dicarboxamide
CID 10277073

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide (CID 10275545) is (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide is O=C(N[C@@H]1COC[C@@H]1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide?
The InChIKey is JADBDFQEPJQPBJ-GOEBONIOSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c22-21(23,24)20-26-15-3-1-2-4-17(15)28(20)9-12-5-7-13(8-6-12)18(29)25-16-11-32-10-14(16)19(30)27-31/h1-8,14,16,31H,9-11H2,(H,25,29)(H,27,30)/t14-,16+/m0/s1.
What are the key properties of (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide?
(3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide has a molecular weight of 448.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-hydroxy-4-[[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]amino]oxolane-3-carboxamide is sourced from PubChem (CID 10275545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).