(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate

C18H18N2O4S — CID 55793043

IUPAC(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
SMILESCOc1ccc2cc(COC(=O)CSCc3noc(C)n3)ccc2c1
InChIInChI=1S/C18H18N2O4S/c1-12-19-17(20-24-12)10-25-11-18(21)23-9-13-3-4-15-8-16(22-2)6-5-14(15)7-13/h3-8H,9-11H2,1-2H3
InChIKeyJWCZCNCORMYPRA-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.52
Rot. Bonds7

About (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate

(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate (PubChem CID 55793043) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
PubChem CID55793043
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
SMILESCOc1ccc2cc(COC(=O)CSCc3noc(C)n3)ccc2c1
InChIInChI=1S/C18H18N2O4S/c1-12-19-17(20-24-12)10-25-11-18(21)23-9-13-3-4-15-8-16(22-2)6-5-14(15)7-13/h3-8H,9-11H2,1-2H3
InChIKeyJWCZCNCORMYPRA-UHFFFAOYSA-N
XLogP3.52
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate with MolForge

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Related Compounds

(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 55734584
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732569
(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55554775
ethyl 3-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 55999734
2-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9482769
(4-methylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466617
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466784
(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
CID 146084300
(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
CID 55554307

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate (CID 55793043) is (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate is COc1ccc2cc(COC(=O)CSCc3noc(C)n3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
The InChIKey is JWCZCNCORMYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-19-17(20-24-12)10-25-11-18(21)23-9-13-3-4-15-8-16(22-2)6-5-14(15)7-13/h3-8H,9-11H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate?
(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate has a molecular weight of 358.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate is sourced from PubChem (CID 55793043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).