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

C15H21N5O2 — CID 75131071

IUPACN-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCCNc1ncccc1-c1noc(C2CCCN2C)n1
InChIInChI=1S/C15H21N5O2/c1-20-9-4-6-12(20)15-18-14(19-22-15)11-5-3-7-16-13(11)17-8-10-21-2/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,16,17)
InChIKeyXIMKRFCXSNLYBK-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.96
Rot. Bonds6

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

N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 75131071) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID75131071
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCOCCNc1ncccc1-c1noc(C2CCCN2C)n1
InChIInChI=1S/C15H21N5O2/c1-20-9-4-6-12(20)15-18-14(19-22-15)11-5-3-7-16-13(11)17-8-10-21-2/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,16,17)
InChIKeyXIMKRFCXSNLYBK-UHFFFAOYSA-N
XLogP1.96
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2-methoxyethyl)-3-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 162855237
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163164504
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131106
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131120
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131108
3-(6-butoxynaphthalen-2-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 145056901
5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
CID 162807774
5-(1-methylpyrrolidin-2-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71060918
N-[4-[[(2R)-2-[3-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]-N-oxidohydroxylamine
CID 163155566

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 75131071) is N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is COCCNc1ncccc1-c1noc(C2CCCN2C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is XIMKRFCXSNLYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20-9-4-6-12(20)15-18-14(19-22-15)11-5-3-7-16-13(11)17-8-10-21-2/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 75131071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).