4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one

C14H7ClF2N2O2 — CID 621980

IUPAC4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1ccccc1Cl
InChIInChI=1S/C14H7ClF2N2O2/c15-8-4-1-2-7-11(8)19-13(18-21-14(19)20)12-9(16)5-3-6-10(12)17/h1-7H
InChIKeyGCUUGZRNCHONRZ-UHFFFAOYSA-N
MW308.67 g/mol
LogP3.42
Rot. Bonds2

About 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one

4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one (PubChem CID 621980) has the molecular formula C14H7ClF2N2O2 and a molecular weight of 308.67 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one
PubChem CID621980
Molecular FormulaC14H7ClF2N2O2
Molecular Weight308.67 g/mol
Exact Mass308.02
IUPAC Name4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2c(F)cccc2F)n1-c1ccccc1Cl
InChIInChI=1S/C14H7ClF2N2O2/c15-8-4-1-2-7-11(8)19-13(18-21-14(19)20)12-9(16)5-3-6-10(12)17/h1-7H
InChIKeyGCUUGZRNCHONRZ-UHFFFAOYSA-N
XLogP3.42
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Oxadiazol-5(4H)-one, 4-(3-trifluoromethylphenyl)-3-phenyl-
CID 621801
3-(4-Chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5(4H)-one
CID 13043244
4-(3,5-dichlorophenyl)-3-phenyl-1,2,4-oxadiazol-5(4H)-one
CID 23723076
3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 23723081
1,2,4-Oxadiazol-5(4H)-one, 3-(3-chlorophenyl)-4-phenyl-
CID 614993
1,2,4-Oxadiazol-5(4H)-one, 4-(3-chlorophenyl)-3-phenyl-
CID 615151
3,4-Diphenyl-1,2,4-oxadiazol-5-one
CID 13043242
1,2,4-Oxadiazol-5(4H)-one, 3-(2,6-difluorophenyl)-4-(3-trifluoromethylphenyl)-
CID 626862
[[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 2823842
[(Z)-[amino-(2,4-difluorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
CID 9584567
3-(2-chloro-6,7-difluoro-3H-indol-4-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 159179560
3-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
CID 49762961

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one (CID 621980) is 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one is O=c1onc(-c2c(F)cccc2F)n1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is GCUUGZRNCHONRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O2/c15-8-4-1-2-7-11(8)19-13(18-21-14(19)20)12-9(16)5-3-6-10(12)17/h1-7H.
What are the key properties of 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one?
4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 308.67 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 621980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).