N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

C12H21ClN4O2 — CID 3053723

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1noc(NC(=O)CN2CCN(C)CC2)c1C.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-10(2)14-18-12(9)13-11(17)8-16-6-4-15(3)5-7-16;/h4-8H2,1-3H3,(H,13,17);1H
InChIKeyDSUDXBJXJNUWIE-UHFFFAOYSA-N
MW288.78 g/mol
LogP0.90
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 3053723) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID3053723
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCc1noc(NC(=O)CN2CCN(C)CC2)c1C.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-10(2)14-18-12(9)13-11(17)8-16-6-4-15(3)5-7-16;/h4-8H2,1-3H3,(H,13,17);1H
InChIKeyDSUDXBJXJNUWIE-UHFFFAOYSA-N
XLogP0.90
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (CID 3053723) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is Cc1noc(NC(=O)CN2CCN(C)CC2)c1C.Cl.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is DSUDXBJXJNUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.ClH/c1-9-10(2)14-18-12(9)13-11(17)8-16-6-4-15(3)5-7-16;/h4-8H2,1-3H3,(H,13,17);1H.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 3053723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).