N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H16F3N5O2 — CID 121129867

IUPACN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)16-6-3-4-14(10-16)11-19(31)28-17-7-2-1-5-15(17)12-20-29-21(30-32-20)18-13-26-8-9-27-18/h1-10,13H,11-12H2,(H,28,31)
InChIKeySGKCDJWRXPYBJM-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.32
Rot. Bonds6

About N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 121129867) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID121129867
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC NameN-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)16-6-3-4-14(10-16)11-19(31)28-17-7-2-1-5-15(17)12-20-29-21(30-32-20)18-13-26-8-9-27-18/h1-10,13H,11-12H2,(H,28,31)
InChIKeySGKCDJWRXPYBJM-UHFFFAOYSA-N
XLogP4.32
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 121129867) is N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1.
What is the InChIKey of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SGKCDJWRXPYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c23-22(24,25)16-6-3-4-14(10-16)11-19(31)28-17-7-2-1-5-15(17)12-20-29-21(30-32-20)18-13-26-8-9-27-18/h1-10,13H,11-12H2,(H,28,31).
What are the key properties of N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 439.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121129867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).