N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

C16H17N3O5S2 — CID 123706740

IUPACN-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCS(=O)(=O)C(CC1CC(c2ccc(-c3cnsc3)cc2)=NO1)C(=O)NO
InChIInChI=1S/C16H17N3O5S2/c1-26(22,23)15(16(20)18-21)7-13-6-14(19-24-13)11-4-2-10(3-5-11)12-8-17-25-9-12/h2-5,8-9,13,15,21H,6-7H2,1H3,(H,18,20)
InChIKeyYFKYYRNACFTKQA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.61
Rot. Bonds6

About N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (PubChem CID 123706740) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
PubChem CID123706740
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCS(=O)(=O)C(CC1CC(c2ccc(-c3cnsc3)cc2)=NO1)C(=O)NO
InChIInChI=1S/C16H17N3O5S2/c1-26(22,23)15(16(20)18-21)7-13-6-14(19-24-13)11-4-2-10(3-5-11)12-8-17-25-9-12/h2-5,8-9,13,15,21H,6-7H2,1H3,(H,18,20)
InChIKeyYFKYYRNACFTKQA-UHFFFAOYSA-N
XLogP1.61
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.61
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'}

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Related Compounds

(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
N-hydroxy-3-[(5R)-3-[4-[4-(hydroxymethyl)-2-methylphenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
CID 130279492
N-hydroxy-2-methyl-2-methylsulfonyl-3-[3-(4-phenylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469100
(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-[3-[4-[2-fluoro-4-(2-hydroxypropyl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
CID 144951979
3-[3-[4-[2-methyl-4-(2-nitrosopropyl)phenyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-2-methylsulfonylpropanamide
CID 134591580
3-[3-(4-cyclopropylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469275
3-[3-[4-(2-ethyl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469234
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-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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The IUPAC name of N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (CID 123706740) is N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is CS(=O)(=O)C(CC1CC(c2ccc(-c3cnsc3)cc2)=NO1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The InChIKey is YFKYYRNACFTKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-26(22,23)15(16(20)18-21)7-13-6-14(19-24-13)11-4-2-10(3-5-11)12-8-17-25-9-12/h2-5,8-9,13,15,21H,6-7H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide has a molecular weight of 395.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methylsulfonyl-3-[3-[4-(1,2-thiazol-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 123706740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).