5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C18H20N6O — CID 139023471

IUPAC5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3cc(-c4ccccc4)ncn3)CC2)no1
InChIInChI=1S/C18H20N6O/c1-14-21-17(22-25-14)12-23-7-9-24(10-8-23)18-11-16(19-13-20-18)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeySMEBOQIUZUBOBV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.16
Rot. Bonds4

About 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 139023471) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID139023471
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3cc(-c4ccccc4)ncn3)CC2)no1
InChIInChI=1S/C18H20N6O/c1-14-21-17(22-25-14)12-23-7-9-24(10-8-23)18-11-16(19-13-20-18)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeySMEBOQIUZUBOBV-UHFFFAOYSA-N
XLogP2.16
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
3-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 82166145
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
5-methyl-3-[[4-[(2S)-2-phenylpropyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99449132
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 166604581
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 139023471) is 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3cc(-c4ccccc4)ncn3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SMEBOQIUZUBOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-14-21-17(22-25-14)12-23-7-9-24(10-8-23)18-11-16(19-13-20-18)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 336.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139023471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).