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

C20H25N3O6S — CID 129082280

IUPAC(2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCN1C=C(c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)C=CC1O
InChIInChI=1S/C20H25N3O6S/c1-20(19(25)21-26,30(3,27)28)11-16-10-17(22-29-16)14-6-4-13(5-7-14)15-8-9-18(24)23(2)12-15/h4-9,12,16,18,24,26H,10-11H2,1-3H3,(H,21,25)/t16-,18?,20-/m1/s1
InChIKeyDMXOHPPWKQKOSV-OPZSGVPXSA-N
MW435.50 g/mol
LogP1.04
Rot. Bonds6

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

(2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 129082280) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID129082280
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name(2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCN1C=C(c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)C=CC1O
InChIInChI=1S/C20H25N3O6S/c1-20(19(25)21-26,30(3,27)28)11-16-10-17(22-29-16)14-6-4-13(5-7-14)15-8-9-18(24)23(2)12-15/h4-9,12,16,18,24,26H,10-11H2,1-3H3,(H,21,25)/t16-,18?,20-/m1/s1
InChIKeyDMXOHPPWKQKOSV-OPZSGVPXSA-N
XLogP1.04
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.04
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-3-[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469100
3-[3-(4-cyclopropylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469275
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118468990
(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(1R)-1-hydroxyethyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118478506
3-[(5R)-3-[4-(2-cyclopropylethynyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 134591139
3-[3-[4-(3-fluoro-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469179
N-hydroxy-3-[(5R)-3-[4-[3-(hydroxymethyl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 126545620
3-[3-[4-(2-ethyl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469234
N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 140770189
(2R)-N-hydroxy-3-[(5R)-3-[4-[4-[(2R)-3-hydroxy-2-methoxypropyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118469238
N-hydroxy-3-[3-[4-[4-(3-hydroxy-2-methoxypropyl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118469241
(2R)-3-[(5R)-3-[3,5-difluoro-4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469246

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide (CID 129082280) is (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide is CN1C=C(c2ccc(C3=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C3)cc2)C=CC1O.
What is the InChIKey of (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is DMXOHPPWKQKOSV-OPZSGVPXSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-20(19(25)21-26,30(3,27)28)11-16-10-17(22-29-16)14-6-4-13(5-7-14)15-8-9-18(24)23(2)12-15/h4-9,12,16,18,24,26H,10-11H2,1-3H3,(H,21,25)/t16-,18?,20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide?
(2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 435.50 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-[(5R)-3-[4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 129082280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).