6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole

C20H13F3N2O3 — CID 146291255

IUPAC6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(OCc2nc3ccc(Oc4ccccc4)cc3o2)ccn1
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)18-11-14(8-9-24-18)26-12-19-25-16-7-6-15(10-17(16)28-19)27-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyFFNBKJDUVOSGQW-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.61
Rot. Bonds5

About 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole

6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole (PubChem CID 146291255) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole
PubChem CID146291255
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole
SMILESFC(F)(F)c1cc(OCc2nc3ccc(Oc4ccccc4)cc3o2)ccn1
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)18-11-14(8-9-24-18)26-12-19-25-16-7-6-15(10-17(16)28-19)27-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyFFNBKJDUVOSGQW-UHFFFAOYSA-N
XLogP5.61
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-phenoxy-1,3-benzoxazol-2-yl)methyl-[2-(trifluoromethyl)-4-pyridinyl]carbamic acid
CID 146291227
2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
CID 177379297
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole?
The IUPAC name of 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole (CID 146291255) is 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole.
What is the SMILES notation for 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole?
The canonical SMILES for 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole is FC(F)(F)c1cc(OCc2nc3ccc(Oc4ccccc4)cc3o2)ccn1.
What is the InChIKey of 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole?
The InChIKey is FFNBKJDUVOSGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c21-20(22,23)18-11-14(8-9-24-18)26-12-19-25-16-7-6-15(10-17(16)28-19)27-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole?
6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole has a molecular weight of 386.33 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole is sourced from PubChem (CID 146291255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).