(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide

C18H31N3O3 — CID 59917738

IUPAC(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
SMILESCN(C)Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H31N3O3/c1-21(2)12-16-13-24-18(19-16)15(11-17(22)20-23)10-6-9-14-7-4-3-5-8-14/h13-15,23H,3-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyDYPCVIDCFLOPEI-OAHLLOKOSA-N
MW337.46 g/mol
LogP3.47
Rot. Bonds9

About (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide

(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide (PubChem CID 59917738) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
PubChem CID59917738
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide
SMILESCN(C)Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C18H31N3O3/c1-21(2)12-16-13-24-18(19-16)15(11-17(22)20-23)10-6-9-14-7-4-3-5-8-14/h13-15,23H,3-12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyDYPCVIDCFLOPEI-OAHLLOKOSA-N
XLogP3.47
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-cyclohexyl-3-[4-[(propan-2-ylamino)methyl]-1,3-oxazol-2-yl]hexanamide
CID 142148173
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10179252
(3R)-6-cyclohexyl-3-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]hexanoic acid
CID 139958657
(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
CID 159714511
6-cyclohexyl-N-hydroxy-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 23526916
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide
CID 135754561
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
CID 23378059
(3R)-3-(4-acetyl-1,3-oxazol-2-yl)-6-cyclohexyl-N-ethoxyhexanamide;(3R)-3-(4-acetyl-1,3-oxazol-2-yl)-6-cyclohexylhexanoic acid
CID 158700912
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
(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
CID 59059270

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide (CID 59917738) is (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide is CN(C)Cc1coc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide?
The InChIKey is DYPCVIDCFLOPEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-21(2)12-16-13-24-18(19-16)15(11-17(22)20-23)10-6-9-14-7-4-3-5-8-14/h13-15,23H,3-12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide has a molecular weight of 337.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[4-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 59917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).