N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide

C6H5F3N4O3 — CID 1283521

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1nonc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O3/c1-2(14)10-3-4(13-16-12-3)11-5(15)6(7,8)9/h1H3,(H,10,12,14)(H,11,13,15)
InChIKeyIRVJLDRHOYATES-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.53
Rot. Bonds2

About N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 1283521) has the molecular formula C6H5F3N4O3 and a molecular weight of 238.12 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID1283521
Molecular FormulaC6H5F3N4O3
Molecular Weight238.12 g/mol
Exact Mass238.03
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1nonc1NC(=O)C(F)(F)F
InChIInChI=1S/C6H5F3N4O3/c1-2(14)10-3-4(13-16-12-3)11-5(15)6(7,8)9/h1H3,(H,10,12,14)(H,11,13,15)
InChIKeyIRVJLDRHOYATES-UHFFFAOYSA-N
XLogP0.53
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide (CID 1283521) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide is CC(=O)Nc1nonc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is IRVJLDRHOYATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N4O3/c1-2(14)10-3-4(13-16-12-3)11-5(15)6(7,8)9/h1H3,(H,10,12,14)(H,11,13,15).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 238.12 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1283521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).