5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

C15H26N4O2 — CID 99781960

IUPAC5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(C[C@H]3CCO[C@H](C)C3)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-12-9-14(3-8-20-12)10-18-4-6-19(7-5-18)11-15-16-13(2)21-17-15/h12,14H,3-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyMJUIYEPACXZZSA-OCCSQVGLSA-N
MW294.40 g/mol
LogP1.31
Rot. Bonds4

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

5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99781960) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID99781960
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(C[C@H]3CCO[C@H](C)C3)CC2)no1
InChIInChI=1S/C15H26N4O2/c1-12-9-14(3-8-20-12)10-18-4-6-19(7-5-18)11-15-16-13(2)21-17-15/h12,14H,3-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyMJUIYEPACXZZSA-OCCSQVGLSA-N
XLogP1.31
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-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

[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 103656955
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119293
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106402344
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
3-[[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 155798422

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 99781960) is 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCN(C[C@H]3CCO[C@H](C)C3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is MJUIYEPACXZZSA-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-9-14(3-8-20-12)10-18-4-6-19(7-5-18)11-15-16-13(2)21-17-15/h12,14H,3-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 294.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[[(2R,4S)-2-methyloxan-4-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99781960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).