2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole

C17H9ClF2N4O2 — CID 53153611

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(F)cc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)c1
InChIInChI=1S/C17H9ClF2N4O2/c18-13-4-2-1-3-12(13)16-21-14(26-24-16)8-15-22-23-17(25-15)9-5-10(19)7-11(20)6-9/h1-7H,8H2
InChIKeyWTEURKUVXTYILN-UHFFFAOYSA-N
MW374.73 g/mol
LogP4.31
Rot. Bonds4

About 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole

2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole (PubChem CID 53153611) has the molecular formula C17H9ClF2N4O2 and a molecular weight of 374.73 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole
PubChem CID53153611
Molecular FormulaC17H9ClF2N4O2
Molecular Weight374.73 g/mol
Exact Mass374.04
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(F)cc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)c1
InChIInChI=1S/C17H9ClF2N4O2/c18-13-4-2-1-3-12(13)16-21-14(26-24-16)8-15-22-23-17(25-15)9-5-10(19)7-11(20)6-9/h1-7H,8H2
InChIKeyWTEURKUVXTYILN-UHFFFAOYSA-N
XLogP4.31
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.73
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole (CID 53153611) is 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole is Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)c1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole?
The InChIKey is WTEURKUVXTYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N4O2/c18-13-4-2-1-3-12(13)16-21-14(26-24-16)8-15-22-23-17(25-15)9-5-10(19)7-11(20)6-9/h1-7H,8H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole?
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole has a molecular weight of 374.73 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,5-difluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53153611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).