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

C17H19N5O2 — CID 124730881

IUPAC2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)o1
InChIInChI=1S/C17H19N5O2/c1-12-19-20-15(23-12)11-22-9-5-8-14(10-22)17-18-16(21-24-17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyQMFNEAPEZKRMHP-CQSZACIVSA-N
MW325.37 g/mol
LogP2.81
Rot. Bonds4

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

2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 124730881) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID124730881
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)o1
InChIInChI=1S/C17H19N5O2/c1-12-19-20-15(23-12)11-22-9-5-8-14(10-22)17-18-16(21-24-17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyQMFNEAPEZKRMHP-CQSZACIVSA-N
XLogP2.81
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
CID 99961813
2-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95130318
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
2-[(3-ethylpiperidin-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 51078850
2-methyl-5-[[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 136563569
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
2-phenyl-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 42760576
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 124730881) is 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)o1.
What is the InChIKey of 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is QMFNEAPEZKRMHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-19-20-15(23-12)11-22-9-5-8-14(10-22)17-18-16(21-24-17)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 325.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 124730881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).