5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C14H13N3O2S — CID 63617036

IUPAC5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(COc3ccccc3)no2)c(N)s1
InChIInChI=1S/C14H13N3O2S/c1-9-7-11(13(15)20-9)14-16-12(17-19-14)8-18-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3
InChIKeyRVGGCMITPWEZPJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.27
Rot. Bonds4

About 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63617036) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID63617036
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(-c2nc(COc3ccccc3)no2)c(N)s1
InChIInChI=1S/C14H13N3O2S/c1-9-7-11(13(15)20-9)14-16-12(17-19-14)8-18-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3
InChIKeyRVGGCMITPWEZPJ-UHFFFAOYSA-N
XLogP3.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63617036) is 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cc(-c2nc(COc3ccccc3)no2)c(N)s1.
What is the InChIKey of 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is RVGGCMITPWEZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-7-11(13(15)20-9)14-16-12(17-19-14)8-18-10-5-3-2-4-6-10/h2-7H,8,15H2,1H3.
What are the key properties of 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63617036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).