5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C15H10ClFN2O2 — CID 6461755

IUPAC5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-11-2-1-3-13(8-11)20-9-14-18-15(19-21-14)10-4-6-12(17)7-5-10/h1-8H,9H2
InChIKeySBYGMBBNDBQTFQ-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.11
Rot. Bonds4

About 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 6461755) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID6461755
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-11-2-1-3-13(8-11)20-9-14-18-15(19-21-14)10-4-6-12(17)7-5-10/h1-8H,9H2
InChIKeySBYGMBBNDBQTFQ-UHFFFAOYSA-N
XLogP4.11
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326414
3-(3-fluoro-4-methylphenyl)-5-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86917000
3-(3-chlorophenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 9137901
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
CID 59402941
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
5-[5-[(3-chlorophenoxy)methyl]furan-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324415
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089
(4-fluorophenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]methanone
CID 18192008

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 6461755) is 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is SBYGMBBNDBQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-11-2-1-3-13(8-11)20-9-14-18-15(19-21-14)10-4-6-12(17)7-5-10/h1-8H,9H2.
What are the key properties of 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 304.71 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 6461755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).