N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C13H24N4O — CID 63267409

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCc1noc(C)c1CN(C)CCN1CCNCC1
InChIInChI=1S/C13H24N4O/c1-11-13(12(2)18-15-11)10-16(3)8-9-17-6-4-14-5-7-17/h14H,4-10H2,1-3H3
InChIKeyVRMUABCXMSZECP-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.63
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63267409) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63267409
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCc1noc(C)c1CN(C)CCN1CCNCC1
InChIInChI=1S/C13H24N4O/c1-11-13(12(2)18-15-11)10-16(3)8-9-17-6-4-14-5-7-17/h14H,4-10H2,1-3H3
InChIKeyVRMUABCXMSZECP-UHFFFAOYSA-N
XLogP0.63
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60964165
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753049
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 55121020
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylazetidin-3-amine
CID 66186598
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
3,5-dimethyl-4-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83484496
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63265603
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 63267409) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is Cc1noc(C)c1CN(C)CCN1CCNCC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is VRMUABCXMSZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-13(12(2)18-15-11)10-16(3)8-9-17-6-4-14-5-7-17/h14H,4-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63267409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).