2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C18H11F3N4O2 — CID 155211848

IUPAC2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3cnco3)o2)cc1
InChIInChI=1S/C18H11F3N4O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)16-24-25-17(27-16)15-9-22-10-26-15/h1-10,23H
InChIKeyFYGBVOANNZTFAB-UHFFFAOYSA-N
MW372.31 g/mol
LogP5.15
Rot. Bonds4

About 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 155211848) has the molecular formula C18H11F3N4O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID155211848
Molecular FormulaC18H11F3N4O2
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Name2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESFC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3cnco3)o2)cc1
InChIInChI=1S/C18H11F3N4O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)16-24-25-17(27-16)15-9-22-10-26-15/h1-10,23H
InChIKeyFYGBVOANNZTFAB-UHFFFAOYSA-N
XLogP5.15
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 155211848) is 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline is FC(F)(F)c1ccc(Nc2ccccc2-c2nnc(-c3cnco3)o2)cc1.
What is the InChIKey of 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is FYGBVOANNZTFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2/c19-18(20,21)11-5-7-12(8-6-11)23-14-4-2-1-3-13(14)16-24-25-17(27-16)15-9-22-10-26-15/h1-10,23H.
What are the key properties of 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 372.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 155211848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).