3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

C19H31N7O3 — CID 23526910

IUPAC3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(C)(C)n1nnc(-c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)n1
InChIInChI=1S/C19H31N7O3/c1-19(2,3)26-22-17(21-25-26)16-20-18(29-24-16)14(12-15(27)23-28)11-7-10-13-8-5-4-6-9-13/h13-14,28H,4-12H2,1-3H3,(H,23,27)
InChIKeyXSFBPCJRDAOWTD-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.21
Rot. Bonds8

About 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide

3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (PubChem CID 23526910) has the molecular formula C19H31N7O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.

Molecular Properties

Compound Name3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
PubChem CID23526910
Molecular FormulaC19H31N7O3
Molecular Weight405.50 g/mol
Exact Mass405.25
IUPAC Name3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide
SMILESCC(C)(C)n1nnc(-c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)n1
InChIInChI=1S/C19H31N7O3/c1-19(2,3)26-22-17(21-25-26)16-20-18(29-24-16)14(12-15(27)23-28)11-7-10-13-8-5-4-6-9-13/h13-14,28H,4-12H2,1-3H3,(H,23,27)
InChIKeyXSFBPCJRDAOWTD-UHFFFAOYSA-N
XLogP3.21
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-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]pyridine-4-carboxylic acid
CID 135712682
5-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 22636630
ethyl 5-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylate
CID 10202978
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
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridine-4-carboxamide
CID 135754561
methyl 1-[5-[6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazole-3-carbonyl]azetidine-3-carboxylate
CID 23378059
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-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
CID 87831710
N-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 10293049
methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methoxy]acetate
CID 10271301

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The IUPAC name of 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide (CID 23526910) is 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide.
What is the SMILES notation for 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The canonical SMILES for 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is CC(C)(C)n1nnc(-c2noc(C(CCCC3CCCCC3)CC(=O)NO)n2)n1.
What is the InChIKey of 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
The InChIKey is XSFBPCJRDAOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O3/c1-19(2,3)26-22-17(21-25-26)16-20-18(29-24-16)14(12-15(27)23-28)11-7-10-13-8-5-4-6-9-13/h13-14,28H,4-12H2,1-3H3,(H,23,27).
What are the key properties of 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide?
3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide has a molecular weight of 405.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-tert-butyltetrazol-5-yl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-N-hydroxyhexanamide is sourced from PubChem (CID 23526910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).