2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C20H28ClN3O3 — CID 119260314

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)C1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-22-14)13-25-18-8-6-16(7-9-18)11-20(24)23-10-4-5-17(12-23)21-3;/h6-9,17,21H,4-5,10-13H2,1-3H3;1H
InChIKeyDMTGATSVYJSADA-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119260314) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119260314
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)C1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-22-14)13-25-18-8-6-16(7-9-18)11-20(24)23-10-4-5-17(12-23)21-3;/h6-9,17,21H,4-5,10-13H2,1-3H3;1H
InChIKeyDMTGATSVYJSADA-UHFFFAOYSA-N
XLogP3.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

(3R)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
CID 9292651
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487770
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
(3R,4R)-4-cyclopropyl-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 120978048
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771162
(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 112806366
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone
CID 119259954
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanone;hydrochloride
CID 120807002
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 70719519
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 41080778

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119260314) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCCN(C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)C1.Cl.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is DMTGATSVYJSADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-14-19(15(2)26-22-14)13-25-18-8-6-16(7-9-18)11-20(24)23-10-4-5-17(12-23)21-3;/h6-9,17,21H,4-5,10-13H2,1-3H3;1H.
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119260314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).