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

C12H20N4O2 — CID 3053724

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCN(C)CC2)c1C
InChIInChI=1S/C12H20N4O2/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)
InChIKeyATSKJFIWESHWMO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.48
Rot. Bonds3

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 3053724) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID3053724
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCN(C)CC2)c1C
InChIInChI=1S/C12H20N4O2/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)
InChIKeyATSKJFIWESHWMO-UHFFFAOYSA-N
XLogP0.48
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.48
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?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 3053724) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide is Cc1noc(NC(=O)CN2CCN(C)CC2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ATSKJFIWESHWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/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).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.48, 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 is sourced from PubChem (CID 3053724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).