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

C24H27N3O4 — CID 100662457

IUPACN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCOc1ccc(-c2noc(CN(C)C(=O)COc3cccc4c3CCCC4)n2)cc1
InChIInChI=1S/C24H27N3O4/c1-3-29-19-13-11-18(12-14-19)24-25-22(31-26-24)15-27(2)23(28)16-30-21-10-6-8-17-7-4-5-9-20(17)21/h6,8,10-14H,3-5,7,9,15-16H2,1-2H3
InChIKeyGSBJFLISYNPGEO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.05
Rot. Bonds8

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

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100662457) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100662457
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCCOc1ccc(-c2noc(CN(C)C(=O)COc3cccc4c3CCCC4)n2)cc1
InChIInChI=1S/C24H27N3O4/c1-3-29-19-13-11-18(12-14-19)24-25-22(31-26-24)15-27(2)23(28)16-30-21-10-6-8-17-7-4-5-9-20(17)21/h6,8,10-14H,3-5,7,9,15-16H2,1-2H3
InChIKeyGSBJFLISYNPGEO-UHFFFAOYSA-N
XLogP4.05
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100517831
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100579097
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758736
2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 43066706
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60585503
(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
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100662457) is N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is CCOc1ccc(-c2noc(CN(C)C(=O)COc3cccc4c3CCCC4)n2)cc1.
What is the InChIKey of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is GSBJFLISYNPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-29-19-13-11-18(12-14-19)24-25-22(31-26-24)15-27(2)23(28)16-30-21-10-6-8-17-7-4-5-9-20(17)21/h6,8,10-14H,3-5,7,9,15-16H2,1-2H3.
What are the key properties of N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 421.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100662457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).