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

C16H23N5O — CID 154882516

IUPAC3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc(C)nc(C)c3C)CC2)on1
InChIInChI=1S/C16H23N5O/c1-11-9-15(22-19-11)10-20-5-7-21(8-6-20)16-12(2)13(3)17-14(4)18-16/h9H,5-8,10H2,1-4H3
InChIKeyHIPMGRHZRJTBRX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.02
Rot. Bonds3

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

3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 154882516) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID154882516
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nc(C)nc(C)c3C)CC2)on1
InChIInChI=1S/C16H23N5O/c1-11-9-15(22-19-11)10-20-5-7-21(8-6-20)16-12(2)13(3)17-14(4)18-16/h9H,5-8,10H2,1-4H3
InChIKeyHIPMGRHZRJTBRX-UHFFFAOYSA-N
XLogP2.02
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
3-methyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 166605079
5-[[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133367815
5-[[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133344656
1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 154882591
5-[[4-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 35788524
5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 154882633
4-fluoro-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 32742374
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133436401

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 154882516) is 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCN(c3nc(C)nc(C)c3C)CC2)on1.
What is the InChIKey of 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is HIPMGRHZRJTBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-9-15(22-19-11)10-20-5-7-21(8-6-20)16-12(2)13(3)17-14(4)18-16/h9H,5-8,10H2,1-4H3.
What are the key properties of 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 154882516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).