methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C16H14N2O4S — CID 864835

IUPACmethyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H14N2O4S/c1-20-15(19)10-23-16-18-17-14(22-16)9-21-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKeyUGNXIZQYHCIPJC-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.07
Rot. Bonds6

About methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 864835) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID864835
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Namemethyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(COc2cccc3ccccc23)o1
InChIInChI=1S/C16H14N2O4S/c1-20-15(19)10-23-16-18-17-14(22-16)9-21-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKeyUGNXIZQYHCIPJC-UHFFFAOYSA-N
XLogP3.07
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

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Related Compounds

[5-(Naphthalen-1-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid
CID 866200
[5-(Naphthalen-2-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetonitrile
CID 655119
[5-(3,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid isopropyl ester
CID 862340
[5-(Naphthalen-2-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 865830
2-[5-(Naphthalen-1-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 855965
2-[5-(Naphthalen-2-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 3138212
Cyclohexyl 2-({5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
CID 646743
(5-m-Tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid cyclohexyl ester
CID 648403
[5-(3-Methoxy-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid benzyl ester
CID 652964
Ethyl 2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864815
7-[(5-Benzylsulfonyl-1,3,4-oxadiazol-2-yl)methoxy]-4,5-dimethylchromen-2-one
CID 145993980
7-[[5-[(4-Methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methoxy]-4-methylchromen-2-one
CID 162676312

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 864835) is methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is COC(=O)CSc1nnc(COc2cccc3ccccc23)o1.
What is the InChIKey of methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is UGNXIZQYHCIPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-20-15(19)10-23-16-18-17-14(22-16)9-21-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3.
What are the key properties of methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 330.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 864835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).