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

C20H26N4O5 — CID 17083458

IUPAC3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C20H26N4O5/c1-27-15-7-9-16(10-8-15)28-13-17(25)21-11-12-22-19(26)20-23-18(24-29-20)14-5-3-2-4-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeySOAJOBRBCSLFSN-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.05
Rot. Bonds9

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

3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17083458) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17083458
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)cc1
InChIInChI=1S/C20H26N4O5/c1-27-15-7-9-16(10-8-15)28-13-17(25)21-11-12-22-19(26)20-23-18(24-29-20)14-5-3-2-4-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeySOAJOBRBCSLFSN-UHFFFAOYSA-N
XLogP2.05
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclohexyl-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083439
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-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
3-cyclohexyl-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083415
3-cyclohexyl-N-[2-[[2-(2-nitrophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083459
3-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 126824030
3-cyclohexyl-N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083421
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083486
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17085004
3-(4-methylphenyl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083485

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 17083458) is 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is COc1ccc(OCC(=O)NCCNC(=O)c2nc(C3CCCCC3)no2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SOAJOBRBCSLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-27-15-7-9-16(10-8-15)28-13-17(25)21-11-12-22-19(26)20-23-18(24-29-20)14-5-3-2-4-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17083458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).