5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid

C20H26N4O5 — CID 22636630

IUPAC5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(CC(CCCC1CCCCC1)c1nc(-c2cncc(C(=O)O)c2)no1)NO
InChIInChI=1S/C20H26N4O5/c25-17(23-28)10-14(8-4-7-13-5-2-1-3-6-13)19-22-18(24-29-19)15-9-16(20(26)27)12-21-11-15/h9,11-14,28H,1-8,10H2,(H,23,25)(H,26,27)
InChIKeyZDXUFDVELRHABT-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.56
Rot. Bonds9

About 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid

5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid (PubChem CID 22636630) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
PubChem CID22636630
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
SMILESO=C(CC(CCCC1CCCCC1)c1nc(-c2cncc(C(=O)O)c2)no1)NO
InChIInChI=1S/C20H26N4O5/c25-17(23-28)10-14(8-4-7-13-5-2-1-3-6-13)19-22-18(24-29-19)15-9-16(20(26)27)12-21-11-15/h9,11-14,28H,1-8,10H2,(H,23,25)(H,26,27)
InChIKeyZDXUFDVELRHABT-UHFFFAOYSA-N
XLogP3.56
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
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 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
CID 10202978
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxylic acid
CID 135712682
(3R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
CID 59059270
(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712717
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
3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
CID 23526910
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480863
tert-butyl N-[1-[5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]azetidin-3-yl]carbamate
CID 23526994
(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712659
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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid (CID 22636630) is 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid is O=C(CC(CCCC1CCCCC1)c1nc(-c2cncc(C(=O)O)c2)no1)NO.
What is the InChIKey of 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
The InChIKey is ZDXUFDVELRHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c25-17(23-28)10-14(8-4-7-13-5-2-1-3-6-13)19-22-18(24-29-19)15-9-16(20(26)27)12-21-11-15/h9,11-14,28H,1-8,10H2,(H,23,25)(H,26,27).
What are the key properties of 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid?
5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid has a molecular weight of 402.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22636630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).