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

C16H12F2N2O2 — CID 42880230

IUPAC3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2noc(-c3ccccc3F)n2)ccc1F
InChIInChI=1S/C16H12F2N2O2/c1-10-8-11(6-7-13(10)17)21-9-15-19-16(22-20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3
InChIKeyRBLDIBABMZWOFB-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.90
Rot. Bonds4

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

3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 42880230) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID42880230
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cc(OCc2noc(-c3ccccc3F)n2)ccc1F
InChIInChI=1S/C16H12F2N2O2/c1-10-8-11(6-7-13(10)17)21-9-15-19-16(22-20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3
InChIKeyRBLDIBABMZWOFB-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692336
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313
3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 83289211
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
5-(2-fluorophenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazole
CID 53176345
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015258
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
5-(2,6-difluorophenyl)-3-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]-1,2,4-oxadiazole
CID 15334582
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 42880230) is 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is Cc1cc(OCc2noc(-c3ccccc3F)n2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is RBLDIBABMZWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-10-8-11(6-7-13(10)17)21-9-15-19-16(22-20-15)12-4-2-3-5-14(12)18/h2-8H,9H2,1H3.
What are the key properties of 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 302.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42880230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).