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

C18H21N3O2 — CID 56723585

IUPAC1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCCOc1ccc2ccccc2c1CN(C)Cc1noc(C)n1
InChIInChI=1S/C18H21N3O2/c1-4-22-17-10-9-14-7-5-6-8-15(14)16(17)11-21(3)12-18-19-13(2)23-20-18/h5-10H,4,11-12H2,1-3H3
InChIKeyPUQROXZYZCTVEZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.56
Rot. Bonds6

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

1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 56723585) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID56723585
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCCOc1ccc2ccccc2c1CN(C)Cc1noc(C)n1
InChIInChI=1S/C18H21N3O2/c1-4-22-17-10-9-14-7-5-6-8-15(14)16(17)11-21(3)12-18-19-13(2)23-20-18/h5-10H,4,11-12H2,1-3H3
InChIKeyPUQROXZYZCTVEZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

(2S)-2-[3-(6-butoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052139
(2S)-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052140
5-Ethyl-3-(4'-propoxybiphenyl-4-yl)-1,2,4-oxadiazole
CID 2258378
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 16008973
5-Ethyl-3-[4-(2-methyl-4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
CID 76324882
(2S)-2-[3-(6-hexoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 127052141
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-2-[4-(propan-2-yl)phenoxy]acetamide
CID 1257610
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 1258379
1-(3-methoxyphenyl)-N-methyl-N-{[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}ethanamine
CID 16188629
N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-2-(4-propylphenoxy)acetamide
CID 162650909
3-[3-(6-Heptoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 168290138
5-{[2-(6-Methoxy-2-naphthyl)morpholin-4-yl]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 56878643

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 56723585) is 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CCOc1ccc2ccccc2c1CN(C)Cc1noc(C)n1.
What is the InChIKey of 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is PUQROXZYZCTVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-22-17-10-9-14-7-5-6-8-15(14)16(17)11-21(3)12-18-19-13(2)23-20-18/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 311.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxynaphthalen-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 56723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).