(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide

C20H27N3O3 — CID 16748676

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccc2)no1)NO
InChIInChI=1S/C20H27N3O3/c24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16/h2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24)/t17-/m1/s1
InChIKeyJRGFKVWNNKXSGS-QGZVFWFLSA-N
MW357.45 g/mol
LogP4.47
Rot. Bonds8

About (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide (PubChem CID 16748676) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
PubChem CID16748676
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
SMILESO=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccc2)no1)NO
InChIInChI=1S/C20H27N3O3/c24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16/h2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24)/t17-/m1/s1
InChIKeyJRGFKVWNNKXSGS-QGZVFWFLSA-N
XLogP4.47
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(3-Phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 1966104
5-Cyclohexyl-3-(p-tolyl)-1,2,4-oxadiazole
CID 867104
4-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)benzoic acid
CID 16748678
(3R)-6-cyclohexyl-N-hydroxy-3-(3-{4-[(methylsulfonyl)amino]phenyl}-1,2,4-oxadiazol-5-yl)hexanamide
CID 16748680
3-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)benzoic acid
CID 16748784
1,1,1-Trifluoro-8-(3-phenyl-1,2,4-oxadiazole-5-yl)octane-2-one
CID 46188075
3-Phenyl-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
CID 56948659
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
Slf1081851
CID 164517202
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 665654

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide (CID 16748676) is (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide is O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccc2)no1)NO.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide?
The InChIKey is JRGFKVWNNKXSGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16/h2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide has a molecular weight of 357.45 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide is sourced from PubChem (CID 16748676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).