(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

C20H28N4O3 — CID 59059427

IUPAC(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCNc1ncccc1-c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C20H28N4O3/c1-21-18-16(11-6-12-22-18)19-23-20(27-24-19)15(13-17(25)26)10-5-9-14-7-3-2-4-8-14/h6,11-12,14-15H,2-5,7-10,13H2,1H3,(H,21,22)(H,25,26)/t15-/m1/s1
InChIKeyJWZXMVHHMVIFKS-OAHLLOKOSA-N
MW372.47 g/mol
LogP4.48
Rot. Bonds9

About (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 59059427) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID59059427
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCNc1ncccc1-c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C20H28N4O3/c1-21-18-16(11-6-12-22-18)19-23-20(27-24-19)15(13-17(25)26)10-5-9-14-7-3-2-4-8-14/h6,11-12,14-15H,2-5,7-10,13H2,1H3,(H,21,22)(H,25,26)/t15-/m1/s1
InChIKeyJWZXMVHHMVIFKS-OAHLLOKOSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid 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

(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712659
(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 16747822
(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712717
6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22636536
(3R)-6-cyclohexyl-3-[3-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059345
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one
CID 142173363
(3R)-6-cyclohexyl-3-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059269
[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
CID 59909775
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxylic acid
CID 135712682
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 59059427) is (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CNc1ncccc1-c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is JWZXMVHHMVIFKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-21-18-16(11-6-12-22-18)19-23-20(27-24-19)15(13-17(25)26)10-5-9-14-7-3-2-4-8-14/h6,11-12,14-15H,2-5,7-10,13H2,1H3,(H,21,22)(H,25,26)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 372.47 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 59059427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).