(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

C21H31N5O3 — CID 16748898

IUPAC(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)c1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C21H31N5O3/c1-26(2)18-12-11-17(14-22-18)20-23-21(29-25-20)16(13-19(27)24-28)10-6-9-15-7-4-3-5-8-15/h11-12,14-16,28H,3-10,13H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyXGZATWGYFADJDC-MRXNPFEDSA-N
MW401.51 g/mol
LogP3.93
Rot. Bonds9

About (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 16748898) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID16748898
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCN(C)c1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C21H31N5O3/c1-26(2)18-12-11-17(14-22-18)20-23-21(29-25-20)16(13-19(27)24-28)10-6-9-15-7-4-3-5-8-15/h11-12,14-16,28H,3-10,13H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyXGZATWGYFADJDC-MRXNPFEDSA-N
XLogP3.93
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.93
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-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide with MolForge

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Launch Full Analysis

Related Compounds

Psn-375,963
CID 2875918
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
4-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine
CID 877119
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
5-(3-Phenylpropyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 705895
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 (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 16748898) is (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is CN(C)c1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is XGZATWGYFADJDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-26(2)18-12-11-17(14-22-18)20-23-21(29-25-20)16(13-19(27)24-28)10-6-9-15-7-4-3-5-8-15/h11-12,14-16,28H,3-10,13H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 401.51 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 16748898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).