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

C22H26FN3O5S — CID 118469052

IUPAC(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)c1cc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)ccn1
InChIInChI=1S/C22H26FN3O5S/c1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30/h5-10,13,16,28H,11-12H2,1-4H3,(H,25,27)/t16-,22-/m1/s1
InChIKeyDJZIOWXDEILIOG-OPAMFIHVSA-N
MW463.53 g/mol
LogP3.20
Rot. Bonds7

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

(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118469052) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-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-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
PubChem CID118469052
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Name(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)c1cc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)ccn1
InChIInChI=1S/C22H26FN3O5S/c1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30/h5-10,13,16,28H,11-12H2,1-4H3,(H,25,27)/t16-,22-/m1/s1
InChIKeyDJZIOWXDEILIOG-OPAMFIHVSA-N
XLogP3.20
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.20
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'}

Analyze (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-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-(2-propan-2-yl-4-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-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide (CID 118469052) is (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-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-(2-propan-2-yl-4-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-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is CC(C)c1cc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2F)ccn1.
What is the InChIKey of (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is DJZIOWXDEILIOG-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-13(2)19-10-14(7-8-24-19)17-6-5-15(9-18(17)23)20-11-16(31-26-20)12-22(3,21(27)25-28)32(4,29)30/h5-10,13,16,28H,11-12H2,1-4H3,(H,25,27)/t16-,22-/m1/s1.
What are the key properties of (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide?
(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 463.53 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118469052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).