5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

C22H31N5O4 — CID 44571513

IUPAC5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C22H31N5O4/c1-27(15-18-12-5-6-13-23-18)22(29)20-24-21(31-26-20)17(14-19(28)25-30)11-7-10-16-8-3-2-4-9-16/h5-6,12-13,16-17,30H,2-4,7-11,14-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyOFLBRKJKSKQKCC-QGZVFWFLSA-N
MW429.52 g/mol
LogP3.47
Rot. Bonds10

About 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide

5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 44571513) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID44571513
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C22H31N5O4/c1-27(15-18-12-5-6-13-23-18)22(29)20-24-21(31-26-20)17(14-19(28)25-30)11-7-10-16-8-3-2-4-9-16/h5-6,12-13,16-17,30H,2-4,7-11,14-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyOFLBRKJKSKQKCC-QGZVFWFLSA-N
XLogP3.47
TPSA121.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.47
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 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

Psn-375,963
CID 2875918
7-Phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
5-(Cyclohexylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 935651
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 1991339
(R)-2-((S)-2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)-4-methylcyclohex-1-enecarboxylic acid
CID 53238781
2-(5-Adamantan-1-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 2869413
5-(4-Propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
CID 646685
3-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2213323
2-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2264736
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9968741
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)isonicotinamide
CID 10111662

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide (CID 44571513) is 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is CN(Cc1ccccn1)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OFLBRKJKSKQKCC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-27(15-18-12-5-6-13-23-18)22(29)20-24-21(31-26-20)17(14-19(28)25-30)11-7-10-16-8-3-2-4-9-16/h5-6,12-13,16-17,30H,2-4,7-11,14-15H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide?
5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 44571513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).