2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole

C15H9ClF2N2O2 — CID 110655751

IUPAC2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1
InChIInChI=1S/C15H9ClF2N2O2/c16-10-3-1-9(2-4-10)15-20-19-14(22-15)8-21-13-6-5-11(17)7-12(13)18/h1-7H,8H2
InChIKeyZEKSRFHFOLVSAM-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110655751) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110655751
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1
InChIInChI=1S/C15H9ClF2N2O2/c16-10-3-1-9(2-4-10)15-20-19-14(22-15)8-21-13-6-5-11(17)7-12(13)18/h1-7H,8H2
InChIKeyZEKSRFHFOLVSAM-UHFFFAOYSA-N
XLogP4.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
[5-bromo-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]methanol
CID 7701791
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea
CID 155811601
2-[4-(2,4-dichlorophenoxy)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 155805409
3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39384244
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
N-[3-fluoro-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propanamide
CID 155812824
2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
CID 7612771
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2,4-difluorobenzamide
CID 8699727

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole (CID 110655751) is 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole is Fc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is ZEKSRFHFOLVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c16-10-3-1-9(2-4-10)15-20-19-14(22-15)8-21-13-6-5-11(17)7-12(13)18/h1-7H,8H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 322.70 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).