5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H22N6O2 — CID 129483087

IUPAC5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(C)nc(N2CCN(C)[C@H](c3nc(C)no3)C2)c1C
InChIInChI=1S/C15H22N6O2/c1-9-13(16-10(2)17-14(9)22-5)21-7-6-20(4)12(8-21)15-18-11(3)19-23-15/h12H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyPQCGCVYASWHCJK-LBPRGKRZSA-N
MW318.38 g/mol
LogP1.29
Rot. Bonds3

About 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129483087) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129483087
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1nc(C)nc(N2CCN(C)[C@H](c3nc(C)no3)C2)c1C
InChIInChI=1S/C15H22N6O2/c1-9-13(16-10(2)17-14(9)22-5)21-7-6-20(4)12(8-21)15-18-11(3)19-23-15/h12H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyPQCGCVYASWHCJK-LBPRGKRZSA-N
XLogP1.29
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2S)-4-(3,6-dimethylpyrazin-2-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129482979
5-[(2S)-4-(3,5-dichloro-2-pyridinyl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129491457
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
3-methyl-5-(1-methyl-4-pyrazin-2-ylpiperazin-2-yl)-1,2,4-oxadiazole
CID 136541538
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
3,5-difluoro-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]benzonitrile
CID 128977795
3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979897
5-[4-[(2,2-dichlorocyclopropyl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 126810966
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
3-methyl-5-[1-methyl-4-(oxepan-4-ylmethyl)piperazin-2-yl]-1,2,4-oxadiazole
CID 126831065
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 129483087) is 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is COc1nc(C)nc(N2CCN(C)[C@H](c3nc(C)no3)C2)c1C.
What is the InChIKey of 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PQCGCVYASWHCJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9-13(16-10(2)17-14(9)22-5)21-7-6-20(4)12(8-21)15-18-11(3)19-23-15/h12H,6-8H2,1-5H3/t12-/m0/s1.
What are the key properties of 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129483087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).