3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C13H19N5O2 — CID 51075925

IUPAC3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCN(Cc3nc(C)no3)CC2)on1
InChIInChI=1S/C13H19N5O2/c1-10-7-12(19-15-10)8-17-3-5-18(6-4-17)9-13-14-11(2)16-20-13/h7H,3-6,8-9H2,1-2H3
InChIKeyQADJJQWYHFGGFA-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.99
Rot. Bonds4

About 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51075925) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51075925
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(CN2CCN(Cc3nc(C)no3)CC2)on1
InChIInChI=1S/C13H19N5O2/c1-10-7-12(19-15-10)8-17-3-5-18(6-4-17)9-13-14-11(2)16-20-13/h7H,3-6,8-9H2,1-2H3
InChIKeyQADJJQWYHFGGFA-UHFFFAOYSA-N
XLogP0.99
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882516
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
3-methyl-5-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 155941729
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
(2R)-3,3-dimethyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 95309121
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 51075925) is 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(CN2CCN(Cc3nc(C)no3)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is QADJJQWYHFGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10-7-12(19-15-10)8-17-3-5-18(6-4-17)9-13-14-11(2)16-20-13/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 277.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51075925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).