[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol

C14H10FNO3 — CID 163819662

IUPAC[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol
SMILESOC(O)c1cccc2oc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H10FNO3/c15-9-6-4-8(5-7-9)13-16-12-10(14(17)18)2-1-3-11(12)19-13/h1-7,14,17-18H
InChIKeyNUHNEQKJCJHFKQ-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.62
Rot. Bonds2

About [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol

[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol (PubChem CID 163819662) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol
PubChem CID163819662
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol
SMILESOC(O)c1cccc2oc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C14H10FNO3/c15-9-6-4-8(5-7-9)13-16-12-10(14(17)18)2-1-3-11(12)19-13/h1-7,14,17-18H
InChIKeyNUHNEQKJCJHFKQ-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-1,3-benzoxazol-2-yl)aniline
CID 163367399
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
2-(4-fluorophenyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 11552932
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[4-[(4-fluorophenyl)methyl]phenyl]-1,3-benzoxazole
CID 171736377
4-(4-amino-1,3-benzoxazol-2-yl)benzaldehyde
CID 87406468
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
CID 66620652
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118852427
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-4-amine
CID 104638623
7-fluoro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 82231372
2-[4-[2-[4-(4-carboxy-1,3-benzoxazol-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 162354685

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol?
The IUPAC name of [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol (CID 163819662) is [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol is OC(O)c1cccc2oc(-c3ccc(F)cc3)nc12.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol?
The InChIKey is NUHNEQKJCJHFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-9-6-4-8(5-7-9)13-16-12-10(14(17)18)2-1-3-11(12)19-13/h1-7,14,17-18H.
What are the key properties of [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol?
[2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol has a molecular weight of 259.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-benzoxazol-4-yl]methanediol is sourced from PubChem (CID 163819662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).