N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C22H25N5O2 — CID 46553493

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(-c3nc(C)no3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-3-26-12-14-27(15-13-26)20-7-5-4-6-19(20)24-21(28)17-8-10-18(11-9-17)22-23-16(2)25-29-22/h4-11H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyLMBCKSIQLDEOSN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.44
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 46553493) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID46553493
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCCN1CCN(c2ccccc2NC(=O)c2ccc(-c3nc(C)no3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-3-26-12-14-27(15-13-26)20-7-5-4-6-19(20)24-21(28)17-8-10-18(11-9-17)22-23-16(2)25-29-22/h4-11H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyLMBCKSIQLDEOSN-UHFFFAOYSA-N
XLogP3.44
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51111979
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39911869
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 25333549
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474767
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808074
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 46553493) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CCN1CCN(c2ccccc2NC(=O)c2ccc(-c3nc(C)no3)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is LMBCKSIQLDEOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-26-12-14-27(15-13-26)20-7-5-4-6-19(20)24-21(28)17-8-10-18(11-9-17)22-23-16(2)25-29-22/h4-11H,3,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 46553493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).