5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole

C12H21N3O — CID 106376719

IUPAC5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC(C)(C)NCC2C)o1
InChIInChI=1S/C12H21N3O/c1-9-5-14-12(3,4)8-15(9)7-11-13-6-10(2)16-11/h6,9,14H,5,7-8H2,1-4H3
InChIKeyRNZGTMFZFXWBQE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds2

About 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole

5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 106376719) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID106376719
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1cnc(CN2CC(C)(C)NCC2C)o1
InChIInChI=1S/C12H21N3O/c1-9-5-14-12(3,4)8-15(9)7-11-13-6-10(2)16-11/h6,9,14H,5,7-8H2,1-4H3
InChIKeyRNZGTMFZFXWBQE-UHFFFAOYSA-N
XLogP1.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746
2-[(3,3-dimethylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376771
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
2,5,5-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64839289
2,5,5-trimethyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 64946588
2-[(5,5-diethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376737
2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
1-[(4-iodophenyl)methyl]-2,5,5-trimethylpiperazine
CID 65491363
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 106376843
2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632221
3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 114180954

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole (CID 106376719) is 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1cnc(CN2CC(C)(C)NCC2C)o1.
What is the InChIKey of 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is RNZGTMFZFXWBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-5-14-12(3,4)8-15(9)7-11-13-6-10(2)16-11/h6,9,14H,5,7-8H2,1-4H3.
What are the key properties of 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole?
5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 223.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 106376719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).