5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole

C12H8F3NO2 — CID 116861912

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)CCO3)on1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18-16-11)7-1-2-9-8(5-7)3-4-17-9/h1-2,5-6H,3-4H2
InChIKeyMNDOWNLBWOOYFT-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.30
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole

5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 116861912) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID116861912
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)CCO3)on1
InChIInChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18-16-11)7-1-2-9-8(5-7)3-4-17-9/h1-2,5-6H,3-4H2
InChIKeyMNDOWNLBWOOYFT-UHFFFAOYSA-N
XLogP3.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861865
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521391
1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 167805269
N-(2,3-dihydro-1-benzofuran-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 91642409
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole (CID 116861912) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(-c2ccc3c(c2)CCO3)on1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is MNDOWNLBWOOYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c13-12(14,15)11-6-10(18-16-11)7-1-2-9-8(5-7)3-4-17-9/h1-2,5-6H,3-4H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 255.19 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 116861912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).