2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone

C15H20N4O2S — CID 119914930

IUPAC2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N4O2S/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-13(21-17-12)14-3-2-8-22-14/h2-3,8-9,16H,4-7,10-11H2,1H3
InChIKeyNPWZQNCMTWNLQE-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.27
Rot. Bonds5

About 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone (PubChem CID 119914930) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
PubChem CID119914930
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C15H20N4O2S/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-13(21-17-12)14-3-2-8-22-14/h2-3,8-9,16H,4-7,10-11H2,1H3
InChIKeyNPWZQNCMTWNLQE-UHFFFAOYSA-N
XLogP1.27
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915477
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
N-cyclopropyl-2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8910173
1-(1,4-diazepan-1-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79476598
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622156
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915183
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441
2-[methyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914972

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone (CID 119914930) is 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1cc(-c2cccs2)on1.
What is the InChIKey of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is NPWZQNCMTWNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-13(21-17-12)14-3-2-8-22-14/h2-3,8-9,16H,4-7,10-11H2,1H3.
What are the key properties of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 320.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 119914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).