5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole

C14H11ClN2O2S — CID 46361408

IUPAC5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H11ClN2O2S/c1-9-2-7-12(20-9)14-16-13(19-17-14)8-18-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3
InChIKeyROIKTDOQADWQOJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.34
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole

5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 46361408) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID46361408
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H11ClN2O2S/c1-9-2-7-12(20-9)14-16-13(19-17-14)8-18-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3
InChIKeyROIKTDOQADWQOJ-UHFFFAOYSA-N
XLogP4.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 46361408) is 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(COc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is ROIKTDOQADWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-9-2-7-12(20-9)14-16-13(19-17-14)8-18-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 306.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 46361408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).