5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C19H23N5O — CID 96577271

IUPAC5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCC[C@@H](c4nccn4C)C3)n2)cc1
InChIInChI=1S/C19H23N5O/c1-14-5-7-15(8-6-14)18-21-17(25-22-18)13-24-10-3-4-16(12-24)19-20-9-11-23(19)2/h5-9,11,16H,3-4,10,12-13H2,1-2H3/t16-/m1/s1
InChIKeySEPCPKDJZLEYAO-MRXNPFEDSA-N
MW337.43 g/mol
LogP3.16
Rot. Bonds4

About 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 96577271) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID96577271
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CCC[C@@H](c4nccn4C)C3)n2)cc1
InChIInChI=1S/C19H23N5O/c1-14-5-7-15(8-6-14)18-21-17(25-22-18)13-24-10-3-4-16(12-24)19-20-9-11-23(19)2/h5-9,11,16H,3-4,10,12-13H2,1-2H3/t16-/m1/s1
InChIKeySEPCPKDJZLEYAO-MRXNPFEDSA-N
XLogP3.16
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930506
3-(4-methylphenyl)-5-[[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 78828548
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 118785977
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-3-amine
CID 119918150
3-(4-methylphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95342707
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
3-(4-methylphenyl)-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 9452459

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 96577271) is 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CCC[C@@H](c4nccn4C)C3)n2)cc1.
What is the InChIKey of 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is SEPCPKDJZLEYAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-5-7-15(8-6-14)18-21-17(25-22-18)13-24-10-3-4-16(12-24)19-20-9-11-23(19)2/h5-9,11,16H,3-4,10,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 96577271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).