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

C20H13F3N4O2 — CID 59135410

IUPAC5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17/h1-12H,(H,25,27)
InChIKeyKGCYIRBRVNASJU-UHFFFAOYSA-N
MW398.34 g/mol
LogP5.69
Rot. Bonds5

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

5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 59135410) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID59135410
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17/h1-12H,(H,25,27)
InChIKeyKGCYIRBRVNASJU-UHFFFAOYSA-N
XLogP5.69
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 59135410) is 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1.
What is the InChIKey of 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KGCYIRBRVNASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17/h1-12H,(H,25,27).
What are the key properties of 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 398.34 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 59135410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).