N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide

C19H30N4O4 — CID 10293049

IUPACN-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1)NO
InChIInChI=1S/C19H30N4O4/c24-17(22-26)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(23-27-19)12-20-18(25)14-9-10-14/h13-15,26H,1-12H2,(H,20,25)(H,22,24)
InChIKeyGDQABVZRVQBEDS-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.83
Rot. Bonds10

About N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide

N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 10293049) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
PubChem CID10293049
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1)NO
InChIInChI=1S/C19H30N4O4/c24-17(22-26)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(23-27-19)12-20-18(25)14-9-10-14/h13-15,26H,1-12H2,(H,20,25)(H,22,24)
InChIKeyGDQABVZRVQBEDS-UHFFFAOYSA-N
XLogP2.83
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
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

(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
(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
(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
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
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)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10179252
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-[(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
methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
CID 23378059
(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 N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide (CID 10293049) is N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide is O=C(CC(CCCC1CCCCC1)c1nc(CNC(=O)C2CC2)no1)NO.
What is the InChIKey of N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is GDQABVZRVQBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c24-17(22-26)11-15(8-4-7-13-5-2-1-3-6-13)19-21-16(23-27-19)12-20-18(25)14-9-10-14/h13-15,26H,1-12H2,(H,20,25)(H,22,24).
What are the key properties of N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide?
N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 10293049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).