4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide

C23H27N5O2 — CID 50780340

IUPAC4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4CC)CC3)cc2)no1
InChIInChI=1S/C23H27N5O2/c1-3-17-7-5-6-8-20(17)24-23(29)28-15-13-27(14-16-28)19-11-9-18(10-12-19)22-25-21(4-2)30-26-22/h5-12H,3-4,13-16H2,1-2H3,(H,24,29)
InChIKeyMALHGGRUHDKXIL-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds5

About 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide

4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 50780340) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID50780340
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4CC)CC3)cc2)no1
InChIInChI=1S/C23H27N5O2/c1-3-17-7-5-6-8-20(17)24-23(29)28-15-13-27(14-16-28)19-11-9-18(10-12-19)22-25-21(4-2)30-26-22/h5-12H,3-4,13-16H2,1-2H3,(H,24,29)
InChIKeyMALHGGRUHDKXIL-UHFFFAOYSA-N
XLogP4.22
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780390
N-(4-ethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780303
N-(3,4-dimethoxyphenyl)-4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780215
N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041910
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 93074923
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 53041905
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112062
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 50780340) is 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1nc(-c2ccc(N3CCN(C(=O)Nc4ccccc4CC)CC3)cc2)no1.
What is the InChIKey of 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is MALHGGRUHDKXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-17-7-5-6-8-20(17)24-23(29)28-15-13-27(14-16-28)19-11-9-18(10-12-19)22-25-21(4-2)30-26-22/h5-12H,3-4,13-16H2,1-2H3,(H,24,29).
What are the key properties of 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 50780340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).