furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

C9H4F3NO3 — CID 54525243

IUPACfuran-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccoc1)c1cnoc1C(F)(F)F
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)8-6(3-13-16-8)7(14)5-1-2-15-4-5/h1-4H
InChIKeyYSRFIVCSILNJMB-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.52
Rot. Bonds2

About furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone

furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (PubChem CID 54525243) has the molecular formula C9H4F3NO3 and a molecular weight of 231.13 g/mol. Its IUPAC name is furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
PubChem CID54525243
Molecular FormulaC9H4F3NO3
Molecular Weight231.13 g/mol
Exact Mass231.01
IUPAC Namefuran-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone
SMILESO=C(c1ccoc1)c1cnoc1C(F)(F)F
InChIInChI=1S/C9H4F3NO3/c10-9(11,12)8-6(3-13-16-8)7(14)5-1-2-15-4-5/h1-4H
InChIKeyYSRFIVCSILNJMB-UHFFFAOYSA-N
XLogP2.52
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone (CID 54525243) is furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is O=C(c1ccoc1)c1cnoc1C(F)(F)F.
What is the InChIKey of furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is YSRFIVCSILNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3/c10-9(11,12)8-6(3-13-16-8)7(14)5-1-2-15-4-5/h1-4H.
What are the key properties of furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone?
furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 231.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[5-(trifluoromethyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 54525243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).