3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C21H28N4O4 — CID 17083439

IUPAC3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)c1C
InChIInChI=1S/C21H28N4O4/c1-14-7-6-10-17(15(14)2)28-13-18(26)22-11-12-23-20(27)21-24-19(25-29-21)16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIZJIOZBSJYBSCI-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.66
Rot. Bonds8

About 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083439) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083439
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)c1C
InChIInChI=1S/C21H28N4O4/c1-14-7-6-10-17(15(14)2)28-13-18(26)22-11-12-23-20(27)21-24-19(25-29-21)16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyIZJIOZBSJYBSCI-UHFFFAOYSA-N
XLogP2.66
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 17083461
3-cyclohexyl-N-[2-[[2-(2-nitrophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083459
3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083458
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
3-cyclohexyl-N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083421
3-cyclohexyl-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083415
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084767
3-(2-fluorophenyl)-N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084296
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
3-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 126824030

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 17083439) is 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)c1C.
What is the InChIKey of 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is IZJIOZBSJYBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-7-6-10-17(15(14)2)28-13-18(26)22-11-12-23-20(27)21-24-19(25-29-21)16-8-4-3-5-9-16/h6-7,10,16H,3-5,8-9,11-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).