[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone

C22H14FNO4 — CID 135855811

IUPAC[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1
InChIInChI=1S/C22H14FNO4/c23-18-4-2-1-3-17(18)21(27)19-20(13-5-9-15(25)10-6-13)24-28-22(19)14-7-11-16(26)12-8-14/h1-12,25-26H
InChIKeyBXOJOURAWYYHMM-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.79
Rot. Bonds4

About [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone

[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone (PubChem CID 135855811) has the molecular formula C22H14FNO4 and a molecular weight of 375.36 g/mol. Its IUPAC name is [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone
PubChem CID135855811
Molecular FormulaC22H14FNO4
Molecular Weight375.36 g/mol
Exact Mass375.09
IUPAC Name[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1
InChIInChI=1S/C22H14FNO4/c23-18-4-2-1-3-17(18)21(27)19-20(13-5-9-15(25)10-6-13)24-28-22(19)14-7-11-16(26)12-8-14/h1-12,25-26H
InChIKeyBXOJOURAWYYHMM-UHFFFAOYSA-N
XLogP4.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
4-[3-(4-hydroxyphenyl)-4-methyl-1,2-oxazol-5-yl]phenol
CID 135855834
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
CID 130332180
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(2-hydroxyphenyl)methanone
CID 2805212
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
(2-fluorophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82282946
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone (CID 135855811) is [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1.
What is the InChIKey of [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone?
The InChIKey is BXOJOURAWYYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO4/c23-18-4-2-1-3-17(18)21(27)19-20(13-5-9-15(25)10-6-13)24-28-22(19)14-7-11-16(26)12-8-14/h1-12,25-26H.
What are the key properties of [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone?
[3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone has a molecular weight of 375.36 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(4-hydroxyphenyl)-1,2-oxazol-4-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 135855811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).