N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene

C13H13F3N2O2 — CID 70489067

IUPACN-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene
SMILESCCC(=O)Nc1ncco1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C6H8N2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-5(9)8-6-7-3-4-10-6/h1-5H;3-4H,2H2,1H3,(H,7,8,9)
InChIKeyITVJGWVSDDCUHW-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.73
Rot. Bonds2

About N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene

N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene (PubChem CID 70489067) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene.

Molecular Properties

Compound NameN-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene
PubChem CID70489067
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene
SMILESCCC(=O)Nc1ncco1.FC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3.C6H8N2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-5(9)8-6-7-3-4-10-6/h1-5H;3-4H,2H2,1H3,(H,7,8,9)
InChIKeyITVJGWVSDDCUHW-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene?
The IUPAC name of N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene (CID 70489067) is N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene.
What is the SMILES notation for N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene?
The canonical SMILES for N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene is CCC(=O)Nc1ncco1.FC(F)(F)c1ccccc1.
What is the InChIKey of N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene?
The InChIKey is ITVJGWVSDDCUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C6H8N2O2/c8-7(9,10)6-4-2-1-3-5-6;1-2-5(9)8-6-7-3-4-10-6/h1-5H;3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene?
N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene has a molecular weight of 286.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-2-yl)propanamide;trifluoromethylbenzene is sourced from PubChem (CID 70489067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).