5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole

C21H14ClFN2O2 — CID 42851419

IUPAC5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESFc1cccc(COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)c1
InChIInChI=1S/C21H14ClFN2O2/c22-17-8-4-16(5-9-17)21-24-20(25-27-21)15-6-10-19(11-7-15)26-13-14-2-1-3-18(23)12-14/h1-12H,13H2
InChIKeyVGZMYOTYGIVFFH-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.78
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 42851419) has the molecular formula C21H14ClFN2O2 and a molecular weight of 380.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID42851419
Molecular FormulaC21H14ClFN2O2
Molecular Weight380.81 g/mol
Exact Mass380.07
IUPAC Name5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESFc1cccc(COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)c1
InChIInChI=1S/C21H14ClFN2O2/c22-17-8-4-16(5-9-17)21-24-20(25-27-21)15-6-10-19(11-7-15)26-13-14-2-1-3-18(23)12-14/h1-12H,13H2
InChIKeyVGZMYOTYGIVFFH-UHFFFAOYSA-N
XLogP5.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
3-[5-[4-[(4-chlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11486592
5-[3-[(3-bromophenoxy)methyl]phenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326225
5-[(1R)-1-(3-bromophenoxy)ethyl]-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42578611
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
5-(3,5-dimethoxyphenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287381
3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 83289211
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944
2-(4-chlorophenoxy)-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 39867028
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole (CID 42851419) is 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole is Fc1cccc(COc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is VGZMYOTYGIVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2/c22-17-8-4-16(5-9-17)21-24-20(25-27-21)15-6-10-19(11-7-15)26-13-14-2-1-3-18(23)12-14/h1-12H,13H2.
What are the key properties of 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 380.81 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42851419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).