5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole

C21H25N5O — CID 110220560

IUPAC5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nccc(-c2ccc(-c3noc(CN4C(C)CCCC4C)n3)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-5-4-6-15(2)26(14)13-20-24-21(25-27-20)18-9-7-17(8-10-18)19-11-12-22-16(3)23-19/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyBSOJNMAWSBVCCP-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.26
Rot. Bonds4

About 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole

5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 110220560) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
PubChem CID110220560
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nccc(-c2ccc(-c3noc(CN4C(C)CCCC4C)n3)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-5-4-6-15(2)26(14)13-20-24-21(25-27-20)18-9-7-17(8-10-18)19-11-12-22-16(3)23-19/h7-12,14-15H,4-6,13H2,1-3H3
InChIKeyBSOJNMAWSBVCCP-UHFFFAOYSA-N
XLogP4.26
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-[(2R)-butan-2-yl]piperazin-1-yl]methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
CID 92585790
N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylethanamine
CID 92565606
5-[(3,3-dimethylpiperidin-1-yl)methyl]-3-[3-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole
CID 46962368
1-cyclopropyl-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 113329705
5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923436
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 118785977
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110016891
2-(2-methoxyphenoxy)-N-[[3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 46953648
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
5-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 11859836
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51593014

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole (CID 110220560) is 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole is Cc1nccc(-c2ccc(-c3noc(CN4C(C)CCCC4C)n3)cc2)n1.
What is the InChIKey of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BSOJNMAWSBVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-5-4-6-15(2)26(14)13-20-24-21(25-27-20)18-9-7-17(8-10-18)19-11-12-22-16(3)23-19/h7-12,14-15H,4-6,13H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole?
5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 363.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpiperidin-1-yl)methyl]-3-[4-(2-methylpyrimidin-4-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 110220560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).