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

C12H20N4O2 — CID 39722176

IUPACN-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C12H20N4O2/c1-10-7-11(18-14-10)8-15-3-5-16(6-4-15)9-12(17)13-2/h7H,3-6,8-9H2,1-2H3,(H,13,17)
InChIKeyMGIHKWDWIZCPQJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.15
Rot. Bonds4

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

N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 39722176) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID39722176
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(Cc2cc(C)no2)CC1
InChIInChI=1S/C12H20N4O2/c1-10-7-11(18-14-10)8-15-3-5-16(6-4-15)9-12(17)13-2/h7H,3-6,8-9H2,1-2H3,(H,13,17)
InChIKeyMGIHKWDWIZCPQJ-UHFFFAOYSA-N
XLogP-0.15
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936
N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30148674
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 87015166
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
N-(2-ethoxyphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147921
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
2-amino-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119399319
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 39722478
2-amino-2-methyl-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 61264451

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 39722176) is N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(Cc2cc(C)no2)CC1.
What is the InChIKey of N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MGIHKWDWIZCPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10-7-11(18-14-10)8-15-3-5-16(6-4-15)9-12(17)13-2/h7H,3-6,8-9H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39722176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).