N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C12H22N4O — CID 62438314

IUPACN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCN(C)CC2)on1
InChIInChI=1S/C12H22N4O/c1-3-13-9-11-8-12(17-14-11)10-16-6-4-15(2)5-7-16/h8,13H,3-7,9-10H2,1-2H3
InChIKeyNZBRMARGQLKAFO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds5

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

N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62438314) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62438314
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2CCN(C)CC2)on1
InChIInChI=1S/C12H22N4O/c1-3-13-9-11-8-12(17-14-11)10-16-6-4-15(2)5-7-16/h8,13H,3-7,9-10H2,1-2H3
InChIKeyNZBRMARGQLKAFO-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

2-methyl-N-[[5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62419602
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62930641
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 114413080
N-[[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63977574
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102746029
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55070212
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 102967913
N-[[5-(azocan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62419803
N-[[5-[(3-methylmorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 55074366
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62438314) is N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2CCN(C)CC2)on1.
What is the InChIKey of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is NZBRMARGQLKAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-9-11-8-12(17-14-11)10-16-6-4-15(2)5-7-16/h8,13H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine 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 N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62438314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).