5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

C16H23N7O — CID 75131431

IUPAC5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCN1CCC(N2CCCC2c2nc(-c3cncnc3N)no2)CC1
InChIInChI=1S/C16H23N7O/c1-22-7-4-11(5-8-22)23-6-2-3-13(23)16-20-15(21-24-16)12-9-18-10-19-14(12)17/h9-11,13H,2-8H2,1H3,(H2,17,18,19)
InChIKeyWIIKVXTTXORRMM-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.34
Rot. Bonds3

About 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (PubChem CID 75131431) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
PubChem CID75131431
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCN1CCC(N2CCCC2c2nc(-c3cncnc3N)no2)CC1
InChIInChI=1S/C16H23N7O/c1-22-7-4-11(5-8-22)23-6-2-3-13(23)16-20-15(21-24-16)12-9-18-10-19-14(12)17/h9-11,13H,2-8H2,1H3,(H2,17,18,19)
InChIKeyWIIKVXTTXORRMM-UHFFFAOYSA-N
XLogP1.34
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 162799195
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136932
5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 163183305
1-[4-[(2S)-2-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51136846
5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131264
1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75131231
5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 166210121
N-(2-methoxyethyl)-3-[5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131084
N-[5-[5-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 75131313

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (CID 75131431) is 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is CN1CCC(N2CCCC2c2nc(-c3cncnc3N)no2)CC1.
What is the InChIKey of 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The InChIKey is WIIKVXTTXORRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-22-7-4-11(5-8-22)23-6-2-3-13(23)16-20-15(21-24-16)12-9-18-10-19-14(12)17/h9-11,13H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 75131431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).