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

C10H9FN2O2 — CID 60627766

IUPAC2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O2/c1-7-12-13-10(15-7)6-14-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeyJUYXKNJJRCQMLM-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.10
Rot. Bonds3

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

2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 60627766) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID60627766
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(COc2ccccc2F)o1
InChIInChI=1S/C10H9FN2O2/c1-7-12-13-10(15-7)6-14-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeyJUYXKNJJRCQMLM-UHFFFAOYSA-N
XLogP2.10
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Phenoxymethyl)-1,3,4-oxadiazol-2-amine
CID 30673
4-{2-[5-(4-Fluoro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethyl}-morpholine
CID 862318
1,3,4-Oxadiazol-2-amine, 5-(1-methyl-1-phenoxyethyl)-
CID 3061071
2-((4-Chlorophenoxy)methyl)-5-(methylthio)-1,3,4-oxadiazole
CID 366517
2-[(4-Methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 927075
2-{[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 3164490
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methoxy]benzonitrile
CID 7999217
2-(Phenoxymethyl)-1,3,4-oxadiazole
CID 927072
Cyclohexyl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1134737
2-[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 3171543
2-[(4-Bromo-2-fluorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47073114
2-(2,2-Dimethylpropyl)-5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 132376498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole (CID 60627766) is 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(COc2ccccc2F)o1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is JUYXKNJJRCQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-7-12-13-10(15-7)6-14-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 208.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 60627766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).