N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide

C12H7F3N6O3 — CID 3609905

IUPACN-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESNc1nonc1-c1noc(-c2ccc(NC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C12H7F3N6O3/c13-12(14,15)11(22)17-6-3-1-5(2-4-6)10-18-9(21-23-10)7-8(16)20-24-19-7/h1-4H,(H2,16,20)(H,17,22)
InChIKeyZRQZRLRVFXLWSU-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.87
Rot. Bonds3

About N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 3609905) has the molecular formula C12H7F3N6O3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID3609905
Molecular FormulaC12H7F3N6O3
Molecular Weight340.22 g/mol
Exact Mass340.05
IUPAC NameN-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESNc1nonc1-c1noc(-c2ccc(NC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C12H7F3N6O3/c13-12(14,15)11(22)17-6-3-1-5(2-4-6)10-18-9(21-23-10)7-8(16)20-24-19-7/h1-4H,(H2,16,20)(H,17,22)
InChIKeyZRQZRLRVFXLWSU-UHFFFAOYSA-N
XLogP1.87
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide (CID 3609905) is N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide is Nc1nonc1-c1noc(-c2ccc(NC(=O)C(F)(F)F)cc2)n1.
What is the InChIKey of N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ZRQZRLRVFXLWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N6O3/c13-12(14,15)11(22)17-6-3-1-5(2-4-6)10-18-9(21-23-10)7-8(16)20-24-19-7/h1-4H,(H2,16,20)(H,17,22).
What are the key properties of N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 340.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3609905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).