5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile

C16H23N3O2 — CID 59059375

IUPAC5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C#N)no1
InChIInChI=1S/C16H23N3O2/c1-12(20)10-14(16-18-15(11-17)19-21-16)9-5-8-13-6-3-2-4-7-13/h13-14H,2-10H2,1H3/t14-/m1/s1
InChIKeyVZBQLEUQLFHNHC-CQSZACIVSA-N
MW289.38 g/mol
LogP3.75
Rot. Bonds7

About 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile

5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile (PubChem CID 59059375) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile.

Molecular Properties

Compound Name5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile
PubChem CID59059375
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile
SMILESCC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C#N)no1
InChIInChI=1S/C16H23N3O2/c1-12(20)10-14(16-18-15(11-17)19-21-16)9-5-8-13-6-3-2-4-7-13/h13-14H,2-10H2,1H3/t14-/m1/s1
InChIKeyVZBQLEUQLFHNHC-CQSZACIVSA-N
XLogP3.75
TPSA79.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994
5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazole-3-carboxamide
CID 23526907
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
CID 59909775
(4R)-4-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-7-cyclohexylheptan-2-one
CID 59059333
[5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate
CID 21305052
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 69432186
(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712659
6-cyclohexyl-N-hydroxy-3-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 22480896
3-[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]propanoic acid;(3R)-6-cyclohexyl-N-hydroxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)hexanamide
CID 90905609
6-cyclohexyl-N-hydroxy-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 23526916

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile?
The IUPAC name of 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile (CID 59059375) is 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile.
What is the SMILES notation for 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile?
The canonical SMILES for 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile is CC(=O)C[C@@H](CCCC1CCCCC1)c1nc(C#N)no1.
What is the InChIKey of 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile?
The InChIKey is VZBQLEUQLFHNHC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)10-14(16-18-15(11-17)19-21-16)9-5-8-13-6-3-2-4-7-13/h13-14H,2-10H2,1H3/t14-/m1/s1.
What are the key properties of 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile?
5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-1-cyclohexyl-6-oxoheptan-4-yl]-1,2,4-oxadiazole-3-carbonitrile is sourced from PubChem (CID 59059375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).