2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol

C16H12FNO3 — CID 155620403

IUPAC2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol
SMILESCOc1cc(-c2cnc(-c3ccccc3)o2)cc(F)c1O
InChIInChI=1S/C16H12FNO3/c1-20-13-8-11(7-12(17)15(13)19)14-9-18-16(21-14)10-5-3-2-4-6-10/h2-9,19H,1H3
InChIKeyOCLNMMGITUMOAW-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.86
Rot. Bonds3

About 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol

2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol (PubChem CID 155620403) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol
PubChem CID155620403
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol
SMILESCOc1cc(-c2cnc(-c3ccccc3)o2)cc(F)c1O
InChIInChI=1S/C16H12FNO3/c1-20-13-8-11(7-12(17)15(13)19)14-9-18-16(21-14)10-5-3-2-4-6-10/h2-9,19H,1H3
InChIKeyOCLNMMGITUMOAW-UHFFFAOYSA-N
XLogP3.86
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135573709
4-[2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-yl]benzene-1,2-diol
CID 70799802
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
[4-(5-phenyl-1,3-oxazol-2-yl)phenyl] acetate
CID 24962592
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498
2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(2,6-dimethyl-4-phenylphenyl)-2-phenyl-1,3-oxazole
CID 140714662
3-(5-phenyl-1,3-oxazol-2-yl)benzene-1,2-diol
CID 142748412
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
CID 102314200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol?
The IUPAC name of 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol (CID 155620403) is 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol is COc1cc(-c2cnc(-c3ccccc3)o2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol?
The InChIKey is OCLNMMGITUMOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-20-13-8-11(7-12(17)15(13)19)14-9-18-16(21-14)10-5-3-2-4-6-10/h2-9,19H,1H3.
What are the key properties of 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol?
2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol has a molecular weight of 285.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(2-phenyl-1,3-oxazol-5-yl)phenol is sourced from PubChem (CID 155620403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).