2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C15H21ClN4O3 — CID 119915477

IUPAC2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(-c2ccco2)on1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-14(22-17-12)13-3-2-8-21-13;/h2-3,8-9,16H,4-7,10-11H2,1H3;1H
InChIKeyLDBDZVOVTCPJQX-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.22
Rot. Bonds5

About 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119915477) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119915477
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(-c2ccco2)on1.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-14(22-17-12)13-3-2-8-21-13;/h2-3,8-9,16H,4-7,10-11H2,1H3;1H
InChIKeyLDBDZVOVTCPJQX-UHFFFAOYSA-N
XLogP1.22
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride with MolForge

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Related Compounds

2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915183
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8551086
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methylazetidin-3-amine
CID 66186647
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915259
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915107
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
7-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119915215
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119915477) is 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is CN(CC(=O)N1CCNCC1)Cc1cc(-c2ccco2)on1.Cl.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is LDBDZVOVTCPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-18(11-15(20)19-6-4-16-5-7-19)10-12-9-14(22-17-12)13-3-2-8-21-13;/h2-3,8-9,16H,4-7,10-11H2,1H3;1H.
What are the key properties of 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119915477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).