6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide

C20H28N4O3 — CID 22480863

IUPAC6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25)
InChIKeyRVWAKNLWMSGWFK-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds9

About 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide

6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 22480863) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID22480863
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25)
InChIKeyRVWAKNLWMSGWFK-UHFFFAOYSA-N
XLogP3.79
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4R)-7-cyclohexyl-1-(hydroxyamino)-4-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-one
CID 10293538
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10182462
N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 10293049
methyl 2-[[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
CID 21305061
3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 90905609
tert-butyl 6-cyclohexyl-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoate
CID 23378099
methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methoxy]acetate
CID 10271301
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10179252
5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 22636630
6-cyclohexyl-N-hydroxy-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 23526916
(3R)-6-cyclohexyl-3-[3-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
CID 87831710

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (CID 22480863) is 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is O=C(CC(CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO.
What is the InChIKey of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is RVWAKNLWMSGWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25).
What are the key properties of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 372.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 22480863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).