5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine

C18H12F3N5O2 — CID 118730443

IUPAC5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)11-3-7-13(8-4-11)27-12-5-1-10(2-6-12)16-24-17(28-26-16)15-14(22)9-23-25-15/h1-9H,22H2,(H,23,25)
InChIKeyRRAGOXUHURJULH-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.52
Rot. Bonds4

About 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine

5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine (PubChem CID 118730443) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine
PubChem CID118730443
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)11-3-7-13(8-4-11)27-12-5-1-10(2-6-12)16-24-17(28-26-16)15-14(22)9-23-25-15/h1-9H,22H2,(H,23,25)
InChIKeyRRAGOXUHURJULH-UHFFFAOYSA-N
XLogP4.52
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine (CID 118730443) is 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1.
What is the InChIKey of 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine?
The InChIKey is RRAGOXUHURJULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c19-18(20,21)11-3-7-13(8-4-11)27-12-5-1-10(2-6-12)16-24-17(28-26-16)15-14(22)9-23-25-15/h1-9H,22H2,(H,23,25).
What are the key properties of 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine?
5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine has a molecular weight of 387.32 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 118730443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).