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

C20H15FN2O2 — CID 42692406

IUPAC3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15FN2O2/c1-13-10-17(21)8-9-18(13)24-12-19-22-20(25-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-11H,12H2,1H3
InChIKeyJIZWMFBZNGMQGN-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.92
Rot. Bonds4

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

3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole (PubChem CID 42692406) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
PubChem CID42692406
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCc1cc(F)ccc1OCc1noc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15FN2O2/c1-13-10-17(21)8-9-18(13)24-12-19-22-20(25-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-11H,12H2,1H3
InChIKeyJIZWMFBZNGMQGN-UHFFFAOYSA-N
XLogP4.92
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-2-methylphenoxy)methyl]-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 42692377
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
5-naphthalen-2-yl-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692396
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
5-(3-fluorophenyl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692370
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61026773
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 46531300
3-(naphthalen-1-yloxymethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42692407
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893
3-[(4-fluorophenoxy)methyl]-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842822

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole (CID 42692406) is 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole is Cc1cc(F)ccc1OCc1noc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole?
The InChIKey is JIZWMFBZNGMQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c1-13-10-17(21)8-9-18(13)24-12-19-22-20(25-23-19)16-7-6-14-4-2-3-5-15(14)11-16/h2-11H,12H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole?
3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole has a molecular weight of 334.35 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenoxy)methyl]-5-naphthalen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 42692406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).