N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride

C16H20ClFN4O2 — CID 75475207

IUPACN-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(-c2nc(C3CCCCCN3)no2)c1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-10(22)19-11-6-7-13(17)12(9-11)16-20-15(21-23-16)14-5-3-2-4-8-18-14;/h6-7,9,14,18H,2-5,8H2,1H3,(H,19,22);1H
InChIKeyOVNQFQHFZIYLED-UHFFFAOYSA-N
MW354.81 g/mol
LogP3.46
Rot. Bonds3

About N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride

N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride (PubChem CID 75475207) has the molecular formula C16H20ClFN4O2 and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride
PubChem CID75475207
Molecular FormulaC16H20ClFN4O2
Molecular Weight354.81 g/mol
Exact Mass354.13
IUPAC NameN-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(-c2nc(C3CCCCCN3)no2)c1.Cl
InChIInChI=1S/C16H19FN4O2.ClH/c1-10(22)19-11-6-7-13(17)12(9-11)16-20-15(21-23-16)14-5-3-2-4-8-18-14;/h6-7,9,14,18H,2-5,8H2,1H3,(H,19,22);1H
InChIKeyOVNQFQHFZIYLED-UHFFFAOYSA-N
XLogP3.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
5-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812597
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
[6-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97345756

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride (CID 75475207) is N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(F)c(-c2nc(C3CCCCCN3)no2)c1.Cl.
What is the InChIKey of N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride?
The InChIKey is OVNQFQHFZIYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2.ClH/c1-10(22)19-11-6-7-13(17)12(9-11)16-20-15(21-23-16)14-5-3-2-4-8-18-14;/h6-7,9,14,18H,2-5,8H2,1H3,(H,19,22);1H.
What are the key properties of N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride?
N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride has a molecular weight of 354.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(azepan-2-yl)-1,2,4-oxadiazol-5-yl]-4-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 75475207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).