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

C23H26ClN5O3 — CID 30890729

IUPACN-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H26ClN5O3/c1-31-20-7-5-17(6-8-20)23-26-22(32-27-23)16-29-13-11-28(12-14-29)10-9-21(30)25-19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3,(H,25,30)
InChIKeyCRJCTPABKGNAHZ-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.55
Rot. Bonds8

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

N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 30890729) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
PubChem CID30890729
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC NameN-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H26ClN5O3/c1-31-20-7-5-17(6-8-20)23-26-22(32-27-23)16-29-13-11-28(12-14-29)10-9-21(30)25-19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3,(H,25,30)
InChIKeyCRJCTPABKGNAHZ-UHFFFAOYSA-N
XLogP3.55
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyanophenyl)-3-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 33432417
N-(3-chloro-4-cyanophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55625654
N-(2-chlorophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46405467
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 134051754
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
3-(4-methoxyphenyl)-5-[[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55648707
N-(3-chlorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2026139
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-(3-chlorophenyl)-1-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide (CID 30890729) is N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is COc1ccc(-c2noc(CN3CCN(CCC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is CRJCTPABKGNAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-31-20-7-5-17(6-8-20)23-26-22(32-27-23)16-29-13-11-28(12-14-29)10-9-21(30)25-19-4-2-3-18(24)15-19/h2-8,15H,9-14,16H2,1H3,(H,25,30).
What are the key properties of N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide?
N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 455.95 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 30890729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).