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

C13H9ClN2O2S — CID 2739741

IUPAC3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C13H9ClN2O2S/c14-10-1-3-11(4-2-10)17-7-12-15-13(18-16-12)9-5-6-19-8-9/h1-6,8H,7H2
InChIKeyRIPVENZQQGRYAB-UHFFFAOYSA-N
MW292.75 g/mol
LogP4.03
Rot. Bonds4

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

3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 2739741) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID2739741
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccsc3)n2)cc1
InChIInChI=1S/C13H9ClN2O2S/c14-10-1-3-11(4-2-10)17-7-12-15-13(18-16-12)9-5-6-19-8-9/h1-6,8H,7H2
InChIKeyRIPVENZQQGRYAB-UHFFFAOYSA-N
XLogP4.03
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 2739643
5-(3-Chloro-thiophen-2-yl)-3-(4-methoxy-phenyl)-[1,2,4]oxadiazole
CID 9922120
5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 719007
3-[(2,4-Dichlorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739641
5-(3-Thienyl)-3-{[3-(trifluoromethyl)phenoxy]methyl}-1,2,4-oxadiazole
CID 2739642
3-[(2,6-Dichloro-4-fluorophenoxy)methyl]-5-(3-thienyl)-1,2,4-oxadiazole
CID 2739748
3-(4-Chloro-phenyl)-5-(3-ethoxy-thiophen-2-yl)-[1,2,4]oxadiazole
CID 44398919
3-(4-Propoxyphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 46157988
4-[(5-Thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzonitrile
CID 38900143
2,6-Difluoro-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402764
2,6-Difluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402939
N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 151168353

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 2739741) is 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Clc1ccc(OCc2noc(-c3ccsc3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is RIPVENZQQGRYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-10-1-3-11(4-2-10)17-7-12-15-13(18-16-12)9-5-6-19-8-9/h1-6,8H,7H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 292.75 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2739741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).