3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole

C13H8Cl2N2O3 — CID 2739863

IUPAC3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccoc3)n2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-1-2-11(10(15)5-9)19-7-12-16-13(20-17-12)8-3-4-18-6-8/h1-6H,7H2
InChIKeyKRAOOYCKLRUXRZ-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.22
Rot. Bonds4

About 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole

3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole (PubChem CID 2739863) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
PubChem CID2739863
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole
SMILESClc1ccc(OCc2noc(-c3ccoc3)n2)c(Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-1-2-11(10(15)5-9)19-7-12-16-13(20-17-12)8-3-4-18-6-8/h1-6H,7H2
InChIKeyKRAOOYCKLRUXRZ-UHFFFAOYSA-N
XLogP4.22
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-bis[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazole
CID 2739092
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
5-(furan-3-yl)-3-propyl-1,2,4-oxadiazole
CID 130708265
methyl 3-[3-[(2,4-dichlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 71920338
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 55578098
2-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 95911598
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
2-chloro-6-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 100657468
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 36506760
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole (CID 2739863) is 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole is Clc1ccc(OCc2noc(-c3ccoc3)n2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole?
The InChIKey is KRAOOYCKLRUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-9-1-2-11(10(15)5-9)19-7-12-16-13(20-17-12)8-3-4-18-6-8/h1-6H,7H2.
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole?
3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole has a molecular weight of 311.12 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-5-(furan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2739863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).