N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C23H25N3O3S — CID 166193225

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCOc1ccc2ccccc2c1CN(CCOC)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C23H25N3O3S/c1-3-28-20-11-10-17-7-4-5-8-18(17)19(20)15-26(12-13-27-2)16-22-24-25-23(29-22)21-9-6-14-30-21/h4-11,14H,3,12-13,15-16H2,1-2H3
InChIKeyRBRACZRNEJCLMZ-UHFFFAOYSA-N
MW423.54 g/mol
LogP5.00
Rot. Bonds10

About N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 166193225) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID166193225
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCCOc1ccc2ccccc2c1CN(CCOC)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C23H25N3O3S/c1-3-28-20-11-10-17-7-4-5-8-18(17)19(20)15-26(12-13-27-2)16-22-24-25-23(29-22)21-9-6-14-30-21/h4-11,14H,3,12-13,15-16H2,1-2H3
InChIKeyRBRACZRNEJCLMZ-UHFFFAOYSA-N
XLogP5.00
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 4827439
4-ethoxy-3-methoxy-N-(2-methoxyethyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 52895534
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9375414
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 9375346
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9375353
7-[[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9375057
2-(1-formylnaphthalen-2-yl)oxy-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 34124254
3-ethyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678585
3-benzyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678589
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8711077
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 166193225) is N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CCOc1ccc2ccccc2c1CN(CCOC)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is RBRACZRNEJCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-28-20-11-10-17-7-4-5-8-18(17)19(20)15-26(12-13-27-2)16-22-24-25-23(29-22)21-9-6-14-30-21/h4-11,14H,3,12-13,15-16H2,1-2H3.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 423.54 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 166193225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).