5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

C14H25N3O — CID 114186794

IUPAC5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)C1CN(Cc2ccno2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3O/c1-10(2)13-9-17(8-12-5-6-16-18-12)14(7-15-13)11(3)4/h5-6,10-11,13-15H,7-9H2,1-4H3
InChIKeyIQLYWTKEYOMQHX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.13
Rot. Bonds4

About 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole

5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 114186794) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID114186794
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)C1CN(Cc2ccno2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3O/c1-10(2)13-9-17(8-12-5-6-16-18-12)14(7-15-13)11(3)4/h5-6,10-11,13-15H,7-9H2,1-4H3
InChIKeyIQLYWTKEYOMQHX-UHFFFAOYSA-N
XLogP2.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64953673
3-methyl-5-[(2-methyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 64937195
2-butan-2-yl-1-[(2-chlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839619
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,2-oxazole
CID 82713453
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010

Frequently Asked Questions

What is the IUPAC name of 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 114186794) is 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is CC(C)C1CN(Cc2ccno2)C(C(C)C)CN1.
What is the InChIKey of 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is IQLYWTKEYOMQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)13-9-17(8-12-5-6-16-18-12)14(7-15-13)11(3)4/h5-6,10-11,13-15H,7-9H2,1-4H3.
What are the key properties of 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 251.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,5-di(propan-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 114186794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).