2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride

C18H24Cl2FN3O2 — CID 119557739

IUPAC2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1coc(-c2ccc(F)cc2)n1)NCCC1CCCNC1
InChIInChI=1S/C18H22FN3O2.2ClH/c19-15-5-3-14(4-6-15)18-22-16(12-24-18)10-17(23)21-9-7-13-2-1-8-20-11-13;;/h3-6,12-13,20H,1-2,7-11H2,(H,21,23);2*1H
InChIKeyHLARNKKTUNVMOI-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (PubChem CID 119557739) has the molecular formula C18H24Cl2FN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
PubChem CID119557739
Molecular FormulaC18H24Cl2FN3O2
Molecular Weight404.31 g/mol
Exact Mass403.12
IUPAC Name2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1coc(-c2ccc(F)cc2)n1)NCCC1CCCNC1
InChIInChI=1S/C18H22FN3O2.2ClH/c19-15-5-3-14(4-6-15)18-22-16(12-24-18)10-17(23)21-9-7-13-2-1-8-20-11-13;;/h3-6,12-13,20H,1-2,7-11H2,(H,21,23);2*1H
InChIKeyHLARNKKTUNVMOI-UHFFFAOYSA-N
XLogP3.37
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (CID 119557739) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is Cl.Cl.O=C(Cc1coc(-c2ccc(F)cc2)n1)NCCC1CCCNC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The InChIKey is HLARNKKTUNVMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2.2ClH/c19-15-5-3-14(4-6-15)18-22-16(12-24-18)10-17(23)21-9-7-13-2-1-8-20-11-13;;/h3-6,12-13,20H,1-2,7-11H2,(H,21,23);2*1H.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride has a molecular weight of 404.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119557739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).