3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol

C14H8ClFN2O2 — CID 63845255

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(F)cc3Cl)no2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-12-7-9(16)4-5-11(12)13-17-14(20-18-13)8-2-1-3-10(19)6-8/h1-7,19H
InChIKeyMKAGDCNWNMGDDW-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.90
Rot. Bonds2

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63845255) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63845255
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(F)cc3Cl)no2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-12-7-9(16)4-5-11(12)13-17-14(20-18-13)8-2-1-3-10(19)6-8/h1-7,19H
InChIKeyMKAGDCNWNMGDDW-UHFFFAOYSA-N
XLogP3.90
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845762
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82811580
2-bromo-5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813740
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 62945325
5-(3-bromophenyl)-3-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 19326705
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 104791040

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63845255) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cccc(-c2nc(-c3ccc(F)cc3Cl)no2)c1.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MKAGDCNWNMGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-12-7-9(16)4-5-11(12)13-17-14(20-18-13)8-2-1-3-10(19)6-8/h1-7,19H.
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 290.68 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63845255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).