(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

C19H20FN3O5S — CID 118469023

IUPAC(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@](C[C@H]1CC(c2ccc(-c3cnccc3F)cc2)=NO1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-11-21-8-7-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyIDHZVKAFEKTWNB-AUUYWEPGSA-N
MW421.45 g/mol
LogP2.08
Rot. Bonds6

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

(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118469023) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118469023
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Name(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESC[C@@](C[C@H]1CC(c2ccc(-c3cnccc3F)cc2)=NO1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-11-21-8-7-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyIDHZVKAFEKTWNB-AUUYWEPGSA-N
XLogP2.08
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118469023) is (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is C[C@@](C[C@H]1CC(c2ccc(-c3cnccc3F)cc2)=NO1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is IDHZVKAFEKTWNB-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-19(18(24)22-25,29(2,26)27)10-14-9-17(23-28-14)13-5-3-12(4-6-13)15-11-21-8-7-16(15)20/h3-8,11,14,25H,9-10H2,1-2H3,(H,22,24)/t14-,19-/m1/s1.
What are the key properties of (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 421.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5R)-3-[4-(4-fluoro-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).