5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C19H12F3N5O2 — CID 11689838

IUPAC5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h1-11H,(H,25,27)
InChIKeyOVVQQJKTQKMVOI-UHFFFAOYSA-N
MW399.33 g/mol
LogP5.08
Rot. Bonds5

About 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11689838) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID11689838
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h1-11H,(H,25,27)
InChIKeyOVVQQJKTQKMVOI-UHFFFAOYSA-N
XLogP5.08
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.33
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 11689838) is 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.
What is the InChIKey of 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OVVQQJKTQKMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)13-2-1-3-14(8-13)25-18-27-26-17(29-18)12-4-6-15(7-5-12)28-16-9-23-11-24-10-16/h1-11H,(H,25,27).
What are the key properties of 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 399.33 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-5-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11689838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).