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

C13H15FN2O2 — CID 64854154

IUPAC5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2cc(C)ccc2F)n1
InChIInChI=1S/C13H15FN2O2/c1-3-4-12-15-13(18-16-12)8-17-11-7-9(2)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyHDRZUVZCVIJRKX-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.05
Rot. Bonds5

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

5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 64854154) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
PubChem CID64854154
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(COc2cc(C)ccc2F)n1
InChIInChI=1S/C13H15FN2O2/c1-3-4-12-15-13(18-16-12)8-17-11-7-9(2)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3
InChIKeyHDRZUVZCVIJRKX-UHFFFAOYSA-N
XLogP3.05
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 60731170
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63322960
5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 107098700
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089
4-chloro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80708725
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
1-[2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-methylphenyl]ethanamine
CID 63639421
3-[(4-chlorophenyl)methyl]-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 876420
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692730
3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64854334

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole (CID 64854154) is 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(COc2cc(C)ccc2F)n1.
What is the InChIKey of 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is HDRZUVZCVIJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-4-12-15-13(18-16-12)8-17-11-7-9(2)5-6-10(11)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole?
5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 250.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-5-methylphenoxy)methyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 64854154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).