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

C20H23N3O5S — CID 118469013

IUPAC(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
SMILESCc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cn1
InChIInChI=1S/C20H23N3O5S/c1-13-4-5-16(12-21-13)14-6-8-15(9-7-14)18-10-17(28-23-18)11-20(2,19(24)22-25)29(3,26)27/h4-9,12,17,25H,10-11H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyPOTGNDBQCUJVPX-YLJYHZDGSA-N
MW417.49 g/mol
LogP2.25
Rot. Bonds6

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

(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide (PubChem CID 118469013) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
PubChem CID118469013
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
SMILESCc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cn1
InChIInChI=1S/C20H23N3O5S/c1-13-4-5-16(12-21-13)14-6-8-15(9-7-14)18-10-17(28-23-18)11-20(2,19(24)22-25)29(3,26)27/h4-9,12,17,25H,10-11H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyPOTGNDBQCUJVPX-YLJYHZDGSA-N
XLogP2.25
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.25
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)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide (CID 118469013) is (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide is Cc1ccc(-c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)cn1.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide?
The InChIKey is POTGNDBQCUJVPX-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-4-5-16(12-21-13)14-6-8-15(9-7-14)18-10-17(28-23-18)11-20(2,19(24)22-25)29(3,26)27/h4-9,12,17,25H,10-11H2,1-3H3,(H,22,24)/t17-,20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide?
(2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide has a molecular weight of 417.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-3-[(5R)-3-[4-(6-methyl-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 118469013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).