2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol

C19H12F3NO4 — CID 1183154

IUPAC2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2onc(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1
InChIInChI=1S/C19H12F3NO4/c1-25-11-6-7-12(13(24)9-11)17-16(18(23-27-17)19(20,21)22)15-8-10-4-2-3-5-14(10)26-15/h2-9,24H,1H3
InChIKeyPTWSGUUNGJCVKB-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.49
Rot. Bonds3

About 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol

2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol (PubChem CID 1183154) has the molecular formula C19H12F3NO4 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol
PubChem CID1183154
Molecular FormulaC19H12F3NO4
Molecular Weight375.30 g/mol
Exact Mass375.07
IUPAC Name2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2onc(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1
InChIInChI=1S/C19H12F3NO4/c1-25-11-6-7-12(13(24)9-11)17-16(18(23-27-17)19(20,21)22)15-8-10-4-2-3-5-14(10)26-15/h2-9,24H,1H3
InChIKeyPTWSGUUNGJCVKB-UHFFFAOYSA-N
XLogP5.49
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
2-[(1S)-5-{3-[(3-methyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 9910188
2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776381
2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776382
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952
2-[(1S)-5-(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776380
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 727517
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 928772
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol (CID 1183154) is 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol is COc1ccc(-c2onc(C(F)(F)F)c2-c2cc3ccccc3o2)c(O)c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
The InChIKey is PTWSGUUNGJCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO4/c1-25-11-6-7-12(13(24)9-11)17-16(18(23-27-17)19(20,21)22)15-8-10-4-2-3-5-14(10)26-15/h2-9,24H,1H3.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol?
2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol has a molecular weight of 375.30 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]-5-methoxyphenol is sourced from PubChem (CID 1183154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).