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

C10H7F3N2O — CID 12569663

IUPAC3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7F3N2O/c1-6-14-9(16-15-6)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3
InChIKeyOYUXLUJXZXDSKY-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.06
Rot. Bonds1

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

3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 12569663) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID12569663
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7F3N2O/c1-6-14-9(16-15-6)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3
InChIKeyOYUXLUJXZXDSKY-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]acetic acid
CID 3492218
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
3-[(3-methoxyphenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42880243
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
3-(6-ethylsulfanyl-3-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740804
5-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 25110321
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 12569663) is 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1noc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is OYUXLUJXZXDSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6-14-9(16-15-6)7-3-2-4-8(5-7)10(11,12)13/h2-5H,1H3.
What are the key properties of 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 228.17 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 12569663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).