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

C20H28N4O3 — CID 22480896

IUPAC6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(Cc2ccncc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)14-17(8-4-7-15-5-2-1-3-6-15)20-22-18(24-27-20)13-16-9-11-21-12-10-16/h9-12,15,17,26H,1-8,13-14H2,(H,23,25)
InChIKeyUCORESKGJKPJKI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds9

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

6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 22480896) 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-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID22480896
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(Cc2ccncc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)14-17(8-4-7-15-5-2-1-3-6-15)20-22-18(24-27-20)13-16-9-11-21-12-10-16/h9-12,15,17,26H,1-8,13-14H2,(H,23,25)
InChIKeyUCORESKGJKPJKI-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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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (CID 22480896) is 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is O=C(CC(CCCC1CCCCC1)c1nc(Cc2ccncc2)no1)NO.
What is the InChIKey of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is UCORESKGJKPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(23-26)14-17(8-4-7-15-5-2-1-3-6-15)20-22-18(24-27-20)13-16-9-11-21-12-10-16/h9-12,15,17,26H,1-8,13-14H2,(H,23,25).
What are the key properties of 6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-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-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 22480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).