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

C11H8F3NO2 — CID 175198365

IUPAC4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=NCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-4H,5-6H2
InChIKeyUCWKWCZIOONABT-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.32
Rot. Bonds2

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

4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 175198365) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID175198365
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=NCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-4H,5-6H2
InChIKeyUCWKWCZIOONABT-UHFFFAOYSA-N
XLogP2.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone (CID 175198365) is 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(C1=NCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is UCWKWCZIOONABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-4H,5-6H2.
What are the key properties of 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 243.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazol-2-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 175198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).