N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C23H25N3O3 — CID 100579097

IUPACN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCc1ccccc1-c1noc(CN(C)C(=O)COc2cccc3c2CCCC3)n1
InChIInChI=1S/C23H25N3O3/c1-16-8-3-5-11-18(16)23-24-21(29-25-23)14-26(2)22(27)15-28-20-13-7-10-17-9-4-6-12-19(17)20/h3,5,7-8,10-11,13H,4,6,9,12,14-15H2,1-2H3
InChIKeyPUALZWIMNZNHTF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100579097) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100579097
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCc1ccccc1-c1noc(CN(C)C(=O)COc2cccc3c2CCCC3)n1
InChIInChI=1S/C23H25N3O3/c1-16-8-3-5-11-18(16)23-24-21(29-25-23)14-26(2)22(27)15-28-20-13-7-10-17-9-4-6-12-19(17)20/h3,5,7-8,10-11,13H,4,6,9,12,14-15H2,1-2H3
InChIKeyPUALZWIMNZNHTF-UHFFFAOYSA-N
XLogP3.96
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide 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

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100662457
2-methoxy-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 99639452
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100753969
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
3-(2-fluorophenyl)-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100510611
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 50874765
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50979608
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
(2S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100629800
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 100749125

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100579097) is N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is Cc1ccccc1-c1noc(CN(C)C(=O)COc2cccc3c2CCCC3)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is PUALZWIMNZNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-8-3-5-11-18(16)23-24-21(29-25-23)14-26(2)22(27)15-28-20-13-7-10-17-9-4-6-12-19(17)20/h3,5,7-8,10-11,13H,4,6,9,12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100579097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).