4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

C23H26ClN5O2 — CID 112840289

IUPAC4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-16-8-9-19(15-20(16)24)25-23(30)29-12-10-28(11-13-29)17(2)22-26-21(27-31-22)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,25,30)
InChIKeyULISPCYECPNVLV-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.53
Rot. Bonds5

About 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 112840289) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
PubChem CID112840289
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)cc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-16-8-9-19(15-20(16)24)25-23(30)29-12-10-28(11-13-29)17(2)22-26-21(27-31-22)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,25,30)
InChIKeyULISPCYECPNVLV-UHFFFAOYSA-N
XLogP4.53
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 95623041
3-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 51940356
N-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 96543683
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757467
2-[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-cyclopentylacetamide
CID 51727825
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
tert-butyl 4-[4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 42958503
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3717878
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (CID 112840289) is 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C(C)c3nc(Cc4ccccc4)no3)CC2)cc1Cl.
What is the InChIKey of 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is ULISPCYECPNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-16-8-9-19(15-20(16)24)25-23(30)29-12-10-28(11-13-29)17(2)22-26-21(27-31-22)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,25,30).
What are the key properties of 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 112840289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).