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

C19H11ClF3N5O2 — CID 59135413

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1
InChIInChI=1S/C19H11ClF3N5O2/c20-15-6-3-12(19(21,22)23)7-16(15)26-18-28-27-17(30-18)11-1-4-13(5-2-11)29-14-8-24-10-25-9-14/h1-10H,(H,26,28)
InChIKeyOGCJZFHYPQDKAG-UHFFFAOYSA-N
MW433.78 g/mol
LogP5.73
Rot. Bonds5

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 59135413) has the molecular formula C19H11ClF3N5O2 and a molecular weight of 433.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID59135413
Molecular FormulaC19H11ClF3N5O2
Molecular Weight433.78 g/mol
Exact Mass433.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1
InChIInChI=1S/C19H11ClF3N5O2/c20-15-6-3-12(19(21,22)23)7-16(15)26-18-28-27-17(30-18)11-1-4-13(5-2-11)29-14-8-24-10-25-9-14/h1-10H,(H,26,28)
InChIKeyOGCJZFHYPQDKAG-UHFFFAOYSA-N
XLogP5.73
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.78
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 59135413) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine is FC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OGCJZFHYPQDKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5O2/c20-15-6-3-12(19(21,22)23)7-16(15)26-18-28-27-17(30-18)11-1-4-13(5-2-11)29-14-8-24-10-25-9-14/h1-10H,(H,26,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 433.78 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 59135413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).