2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

C16H20ClFN4O2 — CID 120756456

IUPAC2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2cccc(F)c2)no1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-11-7-15(20-23-11)19-16(22)10-21-6-5-18-9-14(21)12-3-2-4-13(17)8-12;/h2-4,7-8,14,18H,5-6,9-10H2,1H3,(H,19,20,22);1H
InChIKeyJTJXXXXGEDYDDP-UHFFFAOYSA-N
MW354.81 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (PubChem CID 120756456) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
PubChem CID120756456
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC Name2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2cccc(F)c2)no1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-11-7-15(20-23-11)19-16(22)10-21-6-5-18-9-14(21)12-3-2-4-13(17)8-12;/h2-4,7-8,14,18H,5-6,9-10H2,1H3,(H,19,20,22);1H
InChIKeyJTJXXXXGEDYDDP-UHFFFAOYSA-N
XLogP2.13
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 129480806
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120756360
N-[(2,3-dimethylphenyl)carbamoyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756139

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (CID 120756456) is 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCNCC2c2cccc(F)c2)no1.Cl.
What is the InChIKey of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The InChIKey is JTJXXXXGEDYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2.ClH/c1-11-7-15(20-23-11)19-16(22)10-21-6-5-18-9-14(21)12-3-2-4-13(17)8-12;/h2-4,7-8,14,18H,5-6,9-10H2,1H3,(H,19,20,22);1H.
What are the key properties of 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride has a molecular weight of 354.81 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120756456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).