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

C14H8ClFN2O2 — CID 80979825

IUPAC3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cccc(Cl)c3F)n2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H
InChIKeyZIGAXRZLRDOCMT-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.90
Rot. Bonds2

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

3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 80979825) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID80979825
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cccc(Cl)c3F)n2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H
InChIKeyZIGAXRZLRDOCMT-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-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
3-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 28942061
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503339
3-[5-(2,3,4-trifluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 79755139

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 80979825) is 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(-c3cccc(Cl)c3F)n2)c1.
What is the InChIKey of 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is ZIGAXRZLRDOCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H.
What are the key properties of 3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-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-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 80979825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).