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

C22H23Cl2N5O2 — CID 42956013

IUPACN-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H23Cl2N5O2/c1-15(22(30)25-19-8-7-17(23)13-18(19)24)29-11-9-28(10-12-29)14-20-26-21(27-31-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,30)
InChIKeyOYWFUVUICQCCFI-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.19
Rot. Bonds6

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

N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 42956013) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
PubChem CID42956013
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H23Cl2N5O2/c1-15(22(30)25-19-8-7-17(23)13-18(19)24)29-11-9-28(10-12-29)14-20-26-21(27-31-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,30)
InChIKeyOYWFUVUICQCCFI-UHFFFAOYSA-N
XLogP4.19
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134449
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46405915
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2S)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 30666744
(2R)-N-(1-adamantyl)-2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 30641420
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
2-[4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30741289
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(2-methylbutan-2-yl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55541681
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258269
N-(4-cyanophenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 42935584

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (CID 42956013) is N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is OYWFUVUICQCCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-15(22(30)25-19-8-7-17(23)13-18(19)24)29-11-9-28(10-12-29)14-20-26-21(27-31-20)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,30).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 460.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42956013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).