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

C10H9FN2O — CID 21132314

IUPAC3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C10H9FN2O/c1-7-12-10(13-14-7)6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKeyOJEJMIQFKMQWNH-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.11
Rot. Bonds2

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

3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 21132314) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID21132314
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C10H9FN2O/c1-7-12-10(13-14-7)6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKeyOJEJMIQFKMQWNH-UHFFFAOYSA-N
XLogP2.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Proxazole
CID 8590
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
(4-Fluorobenzyl)methyl{[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
CID 16189803
5-Methyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59981871
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087
3-(4'-Fluorobiphenyl-4-yl)-5-propyl-1,2,4-oxadiazole
CID 739397
3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile
CID 4962192
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
3-Phenyl-1,2,4-oxadiazole-5-carbonitrile
CID 82412177
5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2577552

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole (CID 21132314) is 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2ccccc2F)no1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is OJEJMIQFKMQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7-12-10(13-14-7)6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 192.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).