2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride

C11H19ClN4O2 — CID 3053721

IUPAC2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1noc(N2CCN(CC(N)=O)CC2)c1C.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-8-9(2)13-17-11(8)15-5-3-14(4-6-15)7-10(12)16;/h3-7H2,1-2H3,(H2,12,16);1H
InChIKeyTUVNSUDGWZHRPY-UHFFFAOYSA-N
MW274.75 g/mol
LogP0.32
Rot. Bonds3

About 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride

2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 3053721) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID3053721
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1noc(N2CCN(CC(N)=O)CC2)c1C.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-8-9(2)13-17-11(8)15-5-3-14(4-6-15)7-10(12)16;/h3-7H2,1-2H3,(H2,12,16);1H
InChIKeyTUVNSUDGWZHRPY-UHFFFAOYSA-N
XLogP0.32
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride (CID 3053721) is 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride is Cc1noc(N2CCN(CC(N)=O)CC2)c1C.Cl.
What is the InChIKey of 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is TUVNSUDGWZHRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-8-9(2)13-17-11(8)15-5-3-14(4-6-15)7-10(12)16;/h3-7H2,1-2H3,(H2,12,16);1H.
What are the key properties of 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride?
2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 3053721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).