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

C17H24ClN3O3 — CID 71782745

IUPAC(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)o1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11-9-15(13(3)22-11)17(21)20-7-5-19(6-8-20)10-16-12(2)18-23-14(16)4;/h9H,5-8,10H2,1-4H3;1H
InChIKeyZXQISKGSEWITHK-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.88
Rot. Bonds3

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

(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 71782745) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID71782745
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)o1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-11-9-15(13(3)22-11)17(21)20-7-5-19(6-8-20)10-16-12(2)18-23-14(16)4;/h9H,5-8,10H2,1-4H3;1H
InChIKeyZXQISKGSEWITHK-UHFFFAOYSA-N
XLogP2.88
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
CID 71782744
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-methyl-5-propylpyrazol-4-yl)methanone
CID 56817834
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119857217
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3,4-dimethylphenyl)methanone
CID 110646601
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
[2-(difluoromethoxy)phenyl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55544136
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 55644401

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride (CID 71782745) is (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride is Cc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)o1.Cl.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZXQISKGSEWITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-11-9-15(13(3)22-11)17(21)20-7-5-19(6-8-20)10-16-12(2)18-23-14(16)4;/h9H,5-8,10H2,1-4H3;1H.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
(2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71782745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).