N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide

C19H25Cl2N5O2 — CID 30891214

IUPACN-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C)c1noc(CN2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)n1
InChIInChI=1S/C19H25Cl2N5O2/c1-13(2)19-23-17(28-24-19)12-26-10-8-25(9-11-26)7-6-16(27)22-18-14(20)4-3-5-15(18)21/h3-5,13H,6-12H2,1-2H3,(H,22,27)
InChIKeyCHYIBRSLIJANDG-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.65
Rot. Bonds7

About N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 30891214) has the molecular formula C19H25Cl2N5O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
PubChem CID30891214
Molecular FormulaC19H25Cl2N5O2
Molecular Weight426.35 g/mol
Exact Mass425.14
IUPAC NameN-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
SMILESCC(C)c1noc(CN2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)n1
InChIInChI=1S/C19H25Cl2N5O2/c1-13(2)19-23-17(28-24-19)12-26-10-8-25(9-11-26)7-6-16(27)22-18-14(20)4-3-5-15(18)21/h3-5,13H,6-12H2,1-2H3,(H,22,27)
InChIKeyCHYIBRSLIJANDG-UHFFFAOYSA-N
XLogP3.65
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891217
N-(2,6-dichlorophenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55525642
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47020393
N-(2-chlorophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46405467
N-(3-iodophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30890856
1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86903538
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 33205271
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30890859
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 30891247
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
N-methyl-N-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43065538
(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56821294

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide (CID 30891214) is N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is CC(C)c1noc(CN2CCN(CCC(=O)Nc3c(Cl)cccc3Cl)CC2)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is CHYIBRSLIJANDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O2/c1-13(2)19-23-17(28-24-19)12-26-10-8-25(9-11-26)7-6-16(27)22-18-14(20)4-3-5-15(18)21/h3-5,13H,6-12H2,1-2H3,(H,22,27).
What are the key properties of N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 426.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30891214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).