5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide

C21H23N5O2 — CID 110393326

IUPAC5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nnc(Cc4ccccc4)o3)cc2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)18-9-7-17(8-10-18)22-20(27)21-24-23-19(28-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,27)
InChIKeyLTBCYRHWBAARIW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.66
Rot. Bonds5

About 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393326) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393326
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3nnc(Cc4ccccc4)o3)cc2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)18-9-7-17(8-10-18)22-20(27)21-24-23-19(28-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,27)
InChIKeyLTBCYRHWBAARIW-UHFFFAOYSA-N
XLogP2.66
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
CID 31868782
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
5-[(3-chlorophenyl)methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431923
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3920663
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 110393326) is 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3nnc(Cc4ccccc4)o3)cc2)CC1.
What is the InChIKey of 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is LTBCYRHWBAARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-11-13-26(14-12-25)18-9-7-17(8-10-18)22-20(27)21-24-23-19(28-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,27).
What are the key properties of 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).