N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide

C21H22ClN5O2 — CID 112804309

IUPACN-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2noc(-c3ccccc3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H22ClN5O2/c22-17-8-4-5-9-18(17)23-20(28)15-27-12-10-26(11-13-27)14-19-24-21(29-25-19)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28)
InChIKeyJUZFPXFLICIRJY-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.15
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 112804309) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID112804309
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2noc(-c3ccccc3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H22ClN5O2/c22-17-8-4-5-9-18(17)23-20(28)15-27-12-10-26(11-13-27)14-19-24-21(29-25-19)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28)
InChIKeyJUZFPXFLICIRJY-UHFFFAOYSA-N
XLogP3.15
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
2-chloro-N-[(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 98042268
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2,6-dichlorophenyl)-4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxamide
CID 42692200
N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266785
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210770

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 112804309) is N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2noc(-c3ccccc3)n2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JUZFPXFLICIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c22-17-8-4-5-9-18(17)23-20(28)15-27-12-10-26(11-13-27)14-19-24-21(29-25-19)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28).
What are the key properties of N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112804309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).