5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

C18H26N6O — CID 166600931

IUPAC5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)no1
InChIInChI=1S/C18H26N6O/c1-15-11-16(21-25-15)13-22-7-9-24(10-8-22)18-12-17(19-14-20-18)23-5-3-2-4-6-23/h11-12,14H,2-10,13H2,1H3
InChIKeyBSGLTRRLHLAUOK-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.09
Rot. Bonds4

About 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 166600931) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID166600931
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)no1
InChIInChI=1S/C18H26N6O/c1-15-11-16(21-25-15)13-22-7-9-24(10-8-22)18-12-17(19-14-20-18)23-5-3-2-4-6-23/h11-12,14H,2-10,13H2,1H3
InChIKeyBSGLTRRLHLAUOK-UHFFFAOYSA-N
XLogP2.09
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

4-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 166604678
5-methyl-3-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 138042383
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111984955
4-(4-but-3-ynylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133453675
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
3-[[4-(8-bromoquinolin-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 133370263
3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126932790
5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]azepane
CID 112863027

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 166600931) is 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3cc(N4CCCCC4)ncn3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BSGLTRRLHLAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-11-16(21-25-15)13-22-7-9-24(10-8-22)18-12-17(19-14-20-18)23-5-3-2-4-6-23/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 342.45 g/mol, XLogP of 2.09, 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-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166600931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).