(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide

C20H29N5O3 — CID 16748897

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCNc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C20H29N5O3/c1-21-17-11-10-16(13-22-17)19-23-20(28-25-19)15(12-18(26)24-27)9-5-8-14-6-3-2-4-7-14/h10-11,13-15,27H,2-9,12H2,1H3,(H,21,22)(H,24,26)/t15-/m1/s1
InChIKeyRHOCBISWGZZBRY-OAHLLOKOSA-N
MW387.48 g/mol
LogP3.90
Rot. Bonds9

About (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 16748897) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID16748897
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCNc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1
InChIInChI=1S/C20H29N5O3/c1-21-17-11-10-16(13-22-17)19-23-20(28-25-19)15(12-18(26)24-27)9-5-8-14-6-3-2-4-7-14/h10-11,13-15,27H,2-9,12H2,1H3,(H,21,22)(H,24,26)/t15-/m1/s1
InChIKeyRHOCBISWGZZBRY-OAHLLOKOSA-N
XLogP3.90
TPSA113.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.90
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 (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide with MolForge

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Related Compounds

Psn-375,963
CID 2875918
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
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10133038

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide (CID 16748897) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide is CNc1ccc(-c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cn1.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is RHOCBISWGZZBRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-21-17-11-10-16(13-22-17)19-23-20(28-25-19)15(12-18(26)24-27)9-5-8-14-6-3-2-4-7-14/h10-11,13-15,27H,2-9,12H2,1H3,(H,21,22)(H,24,26)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 387.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 16748897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).