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

C20H28N4O3 — CID 16748901

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25)/t17-/m1/s1
InChIKeyRVWAKNLWMSGWFK-QGZVFWFLSA-N
MW372.47 g/mol
LogP3.79
Rot. Bonds9

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

(3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 16748901) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID16748901
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO
InChIInChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25)/t17-/m1/s1
InChIKeyRVWAKNLWMSGWFK-QGZVFWFLSA-N
XLogP3.79
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide with MolForge

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Launch Full Analysis

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
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

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide (CID 16748901) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(Cc2cccnc2)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is RVWAKNLWMSGWFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(23-26)13-17(10-4-8-15-6-2-1-3-7-15)20-22-18(24-27-20)12-16-9-5-11-21-14-16/h5,9,11,14-15,17,26H,1-4,6-8,10,12-13H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 372.47 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 16748901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).