2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride

C15H21Cl2N3O3 — CID 119472173

IUPAC2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCNCC1C.Cl.Cl
InChIInChI=1S/C15H19N3O3.2ClH/c1-10-9-16-5-6-18(10)14(19)8-12-11(2)21-15(17-12)13-4-3-7-20-13;;/h3-4,7,10,16H,5-6,8-9H2,1-2H3;2*1H
InChIKeyJQEBWHJLGTUAME-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.45
Rot. Bonds3

About 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 119472173) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID119472173
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCc1oc(-c2ccco2)nc1CC(=O)N1CCNCC1C.Cl.Cl
InChIInChI=1S/C15H19N3O3.2ClH/c1-10-9-16-5-6-18(10)14(19)8-12-11(2)21-15(17-12)13-4-3-7-20-13;;/h3-4,7,10,16H,5-6,8-9H2,1-2H3;2*1H
InChIKeyJQEBWHJLGTUAME-UHFFFAOYSA-N
XLogP2.45
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride with MolForge

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Related Compounds

2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119427221
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119471174
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119447492
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119393013
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]ethanone;dihydrochloride
CID 119637637
2-[(2S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidin-2-yl]acetamide
CID 95296870
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946480
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 167782573
(3S)-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 99638821
(3R,4R)-4-cyclopropyl-1-[2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978114
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride (CID 119472173) is 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride is Cc1oc(-c2ccco2)nc1CC(=O)N1CCNCC1C.Cl.Cl.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is JQEBWHJLGTUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.2ClH/c1-10-9-16-5-6-18(10)14(19)8-12-11(2)21-15(17-12)13-4-3-7-20-13;;/h3-4,7,10,16H,5-6,8-9H2,1-2H3;2*1H.
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride?
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 362.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119472173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).