[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium

C15H22N3O4Pr- — CID 59909775

IUPAC[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
SMILES[NH-]C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.[Pr]
InChIInChI=1S/C15H23N3O4.Pr/c16-13(21)14-17-15(22-18-14)11(9-12(19)20)8-4-7-10-5-2-1-3-6-10;/h10-11H,1-9H2,(H3,16,19,20,21);/p-1/t11-;/m1./s1
InChIKeyAWRMKMFGGCBKIM-RFVHGSKJSA-M
MW449.27 g/mol
LogP3.57
Rot. Bonds8

About [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium

[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium (PubChem CID 59909775) has the molecular formula C15H22N3O4Pr- and a molecular weight of 449.27 g/mol. Its IUPAC name is [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium.

Molecular Properties

Compound Name[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
PubChem CID59909775
Molecular FormulaC15H22N3O4Pr-
Molecular Weight449.27 g/mol
Exact Mass449.07
IUPAC Name[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
SMILES[NH-]C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.[Pr]
InChIInChI=1S/C15H23N3O4.Pr/c16-13(21)14-17-15(22-18-14)11(9-12(19)20)8-4-7-10-5-2-1-3-6-10;/h10-11H,1-9H2,(H3,16,19,20,21);/p-1/t11-;/m1./s1
InChIKeyAWRMKMFGGCBKIM-RFVHGSKJSA-M
XLogP3.57
TPSA117.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium with MolForge

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Related Compounds

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
(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909835
6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22480859
(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
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22636536
(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712717
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 16747822
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994

Frequently Asked Questions

What is the IUPAC name of [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium?
The IUPAC name of [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium (CID 59909775) is [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium.
What is the SMILES notation for [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium?
The canonical SMILES for [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium is [NH-]C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.[Pr].
What is the InChIKey of [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium?
The InChIKey is AWRMKMFGGCBKIM-RFVHGSKJSA-M. The full InChI is InChI=1S/C15H23N3O4.Pr/c16-13(21)14-17-15(22-18-14)11(9-12(19)20)8-4-7-10-5-2-1-3-6-10;/h10-11H,1-9H2,(H3,16,19,20,21);/p-1/t11-;/m1./s1.
What are the key properties of [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium?
[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium has a molecular weight of 449.27 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium is sourced from PubChem (CID 59909775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).