2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole

C9H10N2O2S — CID 53017537

IUPAC2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2sccc2C)o1
InChIInChI=1S/C9H10N2O2S/c1-6-3-4-14-8(6)9-11-10-7(13-9)5-12-2/h3-4H,5H2,1-2H3
InChIKeyIPTWRHYZGLQPPJ-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.25
Rot. Bonds3

About 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole

2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 53017537) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID53017537
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2sccc2C)o1
InChIInChI=1S/C9H10N2O2S/c1-6-3-4-14-8(6)9-11-10-7(13-9)5-12-2/h3-4H,5H2,1-2H3
InChIKeyIPTWRHYZGLQPPJ-UHFFFAOYSA-N
XLogP2.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
N-(4-methoxyphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162088
3-methyl-4-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62963811
N-cyclohexyl-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162107
N-[(4-methylphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162117
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
N-(2,6-difluorophenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162073
N-(3-methylphenyl)-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162083
N-[(2-ethoxyphenyl)methyl]-2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 53162121
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95100278
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 53017537) is 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is COCc1nnc(-c2sccc2C)o1.
What is the InChIKey of 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is IPTWRHYZGLQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-6-3-4-14-8(6)9-11-10-7(13-9)5-12-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 210.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 53017537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).