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

C14H8ClFN2O2 — CID 106503339

IUPAC4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-5-8(19)7-10(11)14-17-13(18-20-14)9-3-1-2-4-12(9)16/h1-7,19H
InChIKeyVIJKSRVZEWEULX-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.90
Rot. Bonds2

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

4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503339) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503339
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1
InChIInChI=1S/C14H8ClFN2O2/c15-11-6-5-8(19)7-10(11)14-17-13(18-20-14)9-3-1-2-4-12(9)16/h1-7,19H
InChIKeyVIJKSRVZEWEULX-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

4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
4-chloro-3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 106503357
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904204
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715086
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 106503339) is 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(Cl)c(-c2nc(-c3ccccc3F)no2)c1.
What is the InChIKey of 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VIJKSRVZEWEULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-11-6-5-8(19)7-10(11)14-17-13(18-20-14)9-3-1-2-4-12(9)16/h1-7,19H.
What are the key properties of 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-(2-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 4-chloro-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).