(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

C17H30N4O3 — CID 134693809

IUPAC(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)Cc1noc([C@@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H30N4O3/c1-21(2)12-15-18-17(24-20-15)14(11-16(22)19-23)10-6-9-13-7-4-3-5-8-13/h13-14,23H,3-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyILYORWQDLYKJJF-AWEZNQCLSA-N
MW338.45 g/mol
LogP2.86
Rot. Bonds9

About (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 134693809) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID134693809
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)Cc1noc([C@@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H30N4O3/c1-21(2)12-15-18-17(24-20-15)14(11-16(22)19-23)10-6-9-13-7-4-3-5-8-13/h13-14,23H,3-12H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyILYORWQDLYKJJF-AWEZNQCLSA-N
XLogP2.86
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.86
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 (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 134693809) is (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is CN(C)Cc1noc([C@@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is ILYORWQDLYKJJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-21(2)12-15-18-17(24-20-15)14(11-16(22)19-23)10-6-9-13-7-4-3-5-8-13/h13-14,23H,3-12H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 338.45 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-cyclohexyl-3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 134693809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).