5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C14H12N2O2S — CID 4916156

IUPAC5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)9-13-15-14(16-18-13)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyDOZFAIZVCTXPOC-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.40
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 4916156) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID4916156
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)9-13-15-14(16-18-13)12-3-2-8-19-12/h2-8H,9H2,1H3
InChIKeyDOZFAIZVCTXPOC-UHFFFAOYSA-N
XLogP3.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 4916156) is 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is COc1ccc(Cc2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is DOZFAIZVCTXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-11-6-4-10(5-7-11)9-13-15-14(16-18-13)12-3-2-8-19-12/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 272.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 4916156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).