4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

C16H21ClFN5O2 — CID 120956345

IUPAC4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCN1CCNCC1c1noc(CCNC(=O)c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-22-9-8-18-10-13(22)15-20-14(24-21-15)6-7-19-16(23)11-2-4-12(17)5-3-11;/h2-5,13,18H,6-10H2,1H3,(H,19,23);1H
InChIKeyCXMLDAWHJCZNGZ-UHFFFAOYSA-N
MW369.83 g/mol
LogP1.18
Rot. Bonds5

About 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (PubChem CID 120956345) has the molecular formula C16H21ClFN5O2 and a molecular weight of 369.83 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
PubChem CID120956345
Molecular FormulaC16H21ClFN5O2
Molecular Weight369.83 g/mol
Exact Mass369.14
IUPAC Name4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
SMILESCN1CCNCC1c1noc(CCNC(=O)c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C16H20FN5O2.ClH/c1-22-9-8-18-10-13(22)15-20-14(24-21-15)6-7-19-16(23)11-2-4-12(17)5-3-11;/h2-5,13,18H,6-10H2,1H3,(H,19,23);1H
InChIKeyCXMLDAWHJCZNGZ-UHFFFAOYSA-N
XLogP1.18
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride with MolForge

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Related Compounds

4-tert-butyl-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120959598
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 120956782
1-benzyl-1-methyl-3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 120958533
4-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]benzamide;hydrochloride
CID 120961454
5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984
1-(3-fluoro-4-methoxyphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120956491
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120959514
1-(2,5-dimethylphenyl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
CID 120961286
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120959515
5-[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137154559
5-[2-(4-tert-butylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960505

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (CID 120956345) is 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is CN1CCNCC1c1noc(CCNC(=O)c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
The InChIKey is CXMLDAWHJCZNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2.ClH/c1-22-9-8-18-10-13(22)15-20-14(24-21-15)6-7-19-16(23)11-2-4-12(17)5-3-11;/h2-5,13,18H,6-10H2,1H3,(H,19,23);1H.
What are the key properties of 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?
4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride has a molecular weight of 369.83 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 120956345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).