2-(4-fluorophenyl)-1,3-benzoxazol-5-ol

C13H8FNO2 — CID 3625866

IUPAC2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C13H8FNO2/c14-9-3-1-8(2-4-9)13-15-11-7-10(16)5-6-12(11)17-13/h1-7,16H
InChIKeyDDAPYFMDZYRZOW-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.34
Rot. Bonds1

About 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol

2-(4-fluorophenyl)-1,3-benzoxazol-5-ol (PubChem CID 3625866) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
PubChem CID3625866
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C13H8FNO2/c14-9-3-1-8(2-4-9)13-15-11-7-10(16)5-6-12(11)17-13/h1-7,16H
InChIKeyDDAPYFMDZYRZOW-UHFFFAOYSA-N
XLogP3.34
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
CID 102099634
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-diiodophenol
CID 3096685

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol (CID 3625866) is 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol is Oc1ccc2oc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol?
The InChIKey is DDAPYFMDZYRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-9-3-1-8(2-4-9)13-15-11-7-10(16)5-6-12(11)17-13/h1-7,16H.
What are the key properties of 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol?
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol has a molecular weight of 229.21 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 3625866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).