(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

C20H22FN3O6S — CID 118469199

IUPAC(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCOc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)cn1
InChIInChI=1S/C20H22FN3O6S/c1-20(19(25)23-26,31(3,27)28)10-14-9-17(24-30-14)12-4-6-15(16(21)8-12)13-5-7-18(29-2)22-11-13/h4-8,11,14,26H,9-10H2,1-3H3,(H,23,25)/t14-,20-/m1/s1
InChIKeyLJECCVPJIACEBH-JLTOFOAXSA-N
MW451.48 g/mol
LogP2.09
Rot. Bonds7

About (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide

(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118469199) has the molecular formula C20H22FN3O6S and a molecular weight of 451.48 g/mol. Its IUPAC name is (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-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-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118469199
Molecular FormulaC20H22FN3O6S
Molecular Weight451.48 g/mol
Exact Mass451.12
IUPAC Name(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCOc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)cn1
InChIInChI=1S/C20H22FN3O6S/c1-20(19(25)23-26,31(3,27)28)10-14-9-17(24-30-14)12-4-6-15(16(21)8-12)13-5-7-18(29-2)22-11-13/h4-8,11,14,26H,9-10H2,1-3H3,(H,23,25)/t14-,20-/m1/s1
InChIKeyLJECCVPJIACEBH-JLTOFOAXSA-N
XLogP2.09
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-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-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118469199) is (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-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-[3-fluoro-4-(6-methoxy-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-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is COc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)cn1.
What is the InChIKey of (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is LJECCVPJIACEBH-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H22FN3O6S/c1-20(19(25)23-26,31(3,27)28)10-14-9-17(24-30-14)12-4-6-15(16(21)8-12)13-5-7-18(29-2)22-11-13/h4-8,11,14,26H,9-10H2,1-3H3,(H,23,25)/t14-,20-/m1/s1.
What are the key properties of (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 451.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118469199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).