1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C12H22N4O — CID 55070286

IUPAC1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCN1CCN(Cc2cc(CNC)no2)CC1
InChIInChI=1S/C12H22N4O/c1-3-15-4-6-16(7-5-15)10-12-8-11(9-13-2)14-17-12/h8,13H,3-7,9-10H2,1-2H3
InChIKeyLUMKRMLOPJGGKQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds5

About 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 55070286) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID55070286
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCN1CCN(Cc2cc(CNC)no2)CC1
InChIInChI=1S/C12H22N4O/c1-3-15-4-6-16(7-5-15)10-12-8-11(9-13-2)14-17-12/h8,13H,3-7,9-10H2,1-2H3
InChIKeyLUMKRMLOPJGGKQ-UHFFFAOYSA-N
XLogP0.53
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62417815
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62424365
1-[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 114413098
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62438314
1-[5-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62431704
N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62417631
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56706860
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 55070286) is 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CCN1CCN(Cc2cc(CNC)no2)CC1.
What is the InChIKey of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is LUMKRMLOPJGGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-15-4-6-16(7-5-15)10-12-8-11(9-13-2)14-17-12/h8,13H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 55070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).