5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

C18H13ClN2O3S — CID 19332929

IUPAC5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1OCc1ccc(-c2nc(-c3cccs3)no2)o1
InChIInChI=1S/C18H13ClN2O3S/c1-11-4-2-5-13(19)16(11)22-10-12-7-8-14(23-12)18-20-17(21-24-18)15-6-3-9-25-15/h2-9H,10H2,1H3
InChIKeyHDXIRNJNSYOZDQ-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.60
Rot. Bonds5

About 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19332929) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19332929
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1OCc1ccc(-c2nc(-c3cccs3)no2)o1
InChIInChI=1S/C18H13ClN2O3S/c1-11-4-2-5-13(19)16(11)22-10-12-7-8-14(23-12)18-20-17(21-24-18)15-6-3-9-25-15/h2-9H,10H2,1H3
InChIKeyHDXIRNJNSYOZDQ-UHFFFAOYSA-N
XLogP5.60
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324535
5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332854
2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328575
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334480
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332783
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
5-[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326589
5-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334537
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19332929) is 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is Cc1cccc(Cl)c1OCc1ccc(-c2nc(-c3cccs3)no2)o1.
What is the InChIKey of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is HDXIRNJNSYOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-11-4-2-5-13(19)16(11)22-10-12-7-8-14(23-12)18-20-17(21-24-18)15-6-3-9-25-15/h2-9H,10H2,1H3.
What are the key properties of 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 372.83 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19332929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).