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

C20H12ClF3N4O2 — CID 11640599

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl
InChIInChI=1S/C20H12ClF3N4O2/c21-17-8-5-13(10-16(17)20(22,23)24)26-19-28-27-18(30-19)12-3-6-14(7-4-12)29-15-2-1-9-25-11-15/h1-11H,(H,26,28)
InChIKeyRDRYOGDPCKLGQO-UHFFFAOYSA-N
MW432.79 g/mol
LogP6.34
Rot. Bonds5

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 11640599) has the molecular formula C20H12ClF3N4O2 and a molecular weight of 432.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID11640599
Molecular FormulaC20H12ClF3N4O2
Molecular Weight432.79 g/mol
Exact Mass432.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl
InChIInChI=1S/C20H12ClF3N4O2/c21-17-8-5-13(10-16(17)20(22,23)24)26-19-28-27-18(30-19)12-3-6-14(7-4-12)29-15-2-1-9-25-11-15/h1-11H,(H,26,28)
InChIKeyRDRYOGDPCKLGQO-UHFFFAOYSA-N
XLogP6.34
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 11640599) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RDRYOGDPCKLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O2/c21-17-8-5-13(10-16(17)20(22,23)24)26-19-28-27-18(30-19)12-3-6-14(7-4-12)29-15-2-1-9-25-11-15/h1-11H,(H,26,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 432.79 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11640599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).