5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole

C20H15F3N4O2 — CID 143921097

IUPAC5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole
SMILESCn1c(COc2ccccc2-c2ccno2)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O2/c1-27-18(12-28-16-9-5-3-7-14(16)17-10-11-24-29-17)25-26-19(27)13-6-2-4-8-15(13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyMKVBYMVWZNRAFS-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.73
Rot. Bonds5

About 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole

5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole (PubChem CID 143921097) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole
PubChem CID143921097
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole
SMILESCn1c(COc2ccccc2-c2ccno2)nnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O2/c1-27-18(12-28-16-9-5-3-7-14(16)17-10-11-24-29-17)25-26-19(27)13-6-2-4-8-15(13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyMKVBYMVWZNRAFS-UHFFFAOYSA-N
XLogP4.73
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole?
The IUPAC name of 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole (CID 143921097) is 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole?
The canonical SMILES for 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole is Cn1c(COc2ccccc2-c2ccno2)nnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole?
The InChIKey is MKVBYMVWZNRAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-27-18(12-28-16-9-5-3-7-14(16)17-10-11-24-29-17)25-26-19(27)13-6-2-4-8-15(13)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole?
5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole has a molecular weight of 400.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2-oxazole is sourced from PubChem (CID 143921097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).