4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H27N3O6S — CID 91663399

IUPAC4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2nc(C3CCCC3)no2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H27N3O6S/c1-20(19(24)22-25,30(2,26)27)12-11-14-7-9-16(10-8-14)28-13-17-21-18(23-29-17)15-5-3-4-6-15/h7-10,15,25H,3-6,11-13H2,1-2H3,(H,22,24)
InChIKeyRUSLABRKKRYRJF-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.55
Rot. Bonds9

About 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663399) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663399
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2nc(C3CCCC3)no2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H27N3O6S/c1-20(19(24)22-25,30(2,26)27)12-11-14-7-9-16(10-8-14)28-13-17-21-18(23-29-17)15-5-3-4-6-15/h7-10,15,25H,3-6,11-13H2,1-2H3,(H,22,24)
InChIKeyRUSLABRKKRYRJF-UHFFFAOYSA-N
XLogP2.55
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.55
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 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

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Related Compounds

4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 51355855
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663394
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
3-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxypropanamide
CID 155548498
4-[4-[[2-(2-fluorophenyl)-5-methyl-2,3-dihydro-1,3-oxazol-4-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663378
2-[4-[[3-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-N-hydroxyacetamide
CID 155511305
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663399) is 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OCc2nc(C3CCCC3)no2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is RUSLABRKKRYRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-20(19(24)22-25,30(2,26)27)12-11-14-7-9-16(10-8-14)28-13-17-21-18(23-29-17)15-5-3-4-6-15/h7-10,15,25H,3-6,11-13H2,1-2H3,(H,22,24).
What are the key properties of 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 437.52 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).