[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol

C16H22N4O2 — CID 128980571

IUPAC[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCc1noc(C2CN(Cc3ccc(CO)cc3)CCN2C)n1
InChIInChI=1S/C16H22N4O2/c1-12-17-16(22-18-12)15-10-20(8-7-19(15)2)9-13-3-5-14(11-21)6-4-13/h3-6,15,21H,7-11H2,1-2H3
InChIKeyBLYMEYSOEHJKPL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.36
Rot. Bonds4

About [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol

[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 128980571) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
PubChem CID128980571
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCc1noc(C2CN(Cc3ccc(CO)cc3)CCN2C)n1
InChIInChI=1S/C16H22N4O2/c1-12-17-16(22-18-12)15-10-20(8-7-19(15)2)9-13-3-5-14(11-21)6-4-13/h3-6,15,21H,7-11H2,1-2H3
InChIKeyBLYMEYSOEHJKPL-UHFFFAOYSA-N
XLogP1.36
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
3-[[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]benzamide
CID 129346925
5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
5-[(2R)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485828
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
[4-[[(2R,4R)-4-methoxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 128966490
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137213877
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129009267

Frequently Asked Questions

What is the IUPAC name of [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol (CID 128980571) is [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol is Cc1noc(C2CN(Cc3ccc(CO)cc3)CCN2C)n1.
What is the InChIKey of [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is BLYMEYSOEHJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-17-16(22-18-12)15-10-20(8-7-19(15)2)9-13-3-5-14(11-21)6-4-13/h3-6,15,21H,7-11H2,1-2H3.
What are the key properties of [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol?
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 302.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 128980571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).