N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C14H19N5O2 — CID 162855237

IUPACN-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCCNc1ncccc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C14H19N5O2/c1-20-9-8-17-12-10(4-2-7-16-12)13-18-14(21-19-13)11-5-3-6-15-11/h2,4,7,11,15H,3,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyJQSWGSZEHCGUCH-LLVKDONJSA-N
MW289.34 g/mol
LogP1.61
Rot. Bonds6

About N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 162855237) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID162855237
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCCNc1ncccc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C14H19N5O2/c1-20-9-8-17-12-10(4-2-7-16-12)13-18-14(21-19-13)11-5-3-6-15-11/h2,4,7,11,15H,3,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyJQSWGSZEHCGUCH-LLVKDONJSA-N
XLogP1.61
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131071
3-[5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 75131080
N-(2-methoxyethyl)-3-[5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131084
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
3-(3-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624435
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
3-(2-methoxy-3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 82626024
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
N-(2-methoxyethyl)-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846439
3-naphthalen-1-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832593
3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
3-(5-fluoro-2-methoxyphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 82624437

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 162855237) is N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is COCCNc1ncccc1-c1noc([C@H]2CCCN2)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is JQSWGSZEHCGUCH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-9-8-17-12-10(4-2-7-16-12)13-18-14(21-19-13)11-5-3-6-15-11/h2,4,7,11,15H,3,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162855237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).