3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

C19H12F3N5O2 — CID 59472195

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-13-8-4-7-12(9-13)14-10-24-16(23)15(25-14)18-27-26-17(28-18)11-5-2-1-3-6-11/h1-10H,(H2,23,24)
InChIKeyIHUSMDGNHHOTNB-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.34
Rot. Bonds4

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 59472195) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID59472195
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2cccc(OC(F)(F)F)c2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)29-13-8-4-7-12(9-13)14-10-24-16(23)15(25-14)18-27-26-17(28-18)11-5-2-1-3-6-11/h1-10H,(H2,23,24)
InChIKeyIHUSMDGNHHOTNB-UHFFFAOYSA-N
XLogP4.34
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 59472195) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine is Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is IHUSMDGNHHOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)29-13-8-4-7-12(9-13)14-10-24-16(23)15(25-14)18-27-26-17(28-18)11-5-2-1-3-6-11/h1-10H,(H2,23,24).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 399.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 59472195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).