(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide

C17H30N4O5S — CID 10179252

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCN(Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1)S(C)(=O)=O
InChIInChI=1S/C17H30N4O5S/c1-21(27(2,24)25)12-15-18-17(26-20-15)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-/m1/s1
InChIKeyIXNZRXDLVIEGLU-CQSZACIVSA-N
MW402.52 g/mol
LogP2.19
Rot. Bonds10

About (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 10179252) has the molecular formula C17H30N4O5S and a molecular weight of 402.52 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID10179252
Molecular FormulaC17H30N4O5S
Molecular Weight402.52 g/mol
Exact Mass402.19
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCN(Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1)S(C)(=O)=O
InChIInChI=1S/C17H30N4O5S/c1-21(27(2,24)25)12-15-18-17(26-20-15)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-/m1/s1
InChIKeyIXNZRXDLVIEGLU-CQSZACIVSA-N
XLogP2.19
TPSA125.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide with MolForge

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Related Compounds

6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22733095
(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
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
N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 10293049
(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69430898
methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methoxy]acetate
CID 10271301
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
(3R)-6-cyclohexyl-3-[3-[[(2-methoxy-2-oxoethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
CID 161112827
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[(pyridin-3-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10182462
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480863
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 10179252) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide is CN(Cc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1)S(C)(=O)=O.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is IXNZRXDLVIEGLU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N4O5S/c1-21(27(2,24)25)12-15-18-17(26-20-15)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-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 402.52 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 10179252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).