4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol

C16H13FN2O2 — CID 103947427

IUPAC4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(F)cc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H13FN2O2/c17-13-4-5-15(20)12(6-13)8-19-14-3-1-2-11(7-14)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2
InChIKeyMDROWTMCKJTSEX-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.80
Rot. Bonds4

About 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol

4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol (PubChem CID 103947427) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
PubChem CID103947427
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(F)cc1CNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H13FN2O2/c17-13-4-5-15(20)12(6-13)8-19-14-3-1-2-11(7-14)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2
InChIKeyMDROWTMCKJTSEX-UHFFFAOYSA-N
XLogP3.80
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol (CID 103947427) is 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol is Oc1ccc(F)cc1CNc1cccc(-c2cnco2)c1.
What is the InChIKey of 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The InChIKey is MDROWTMCKJTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-4-5-15(20)12(6-13)8-19-14-3-1-2-11(7-14)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2.
What are the key properties of 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol has a molecular weight of 284.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol is sourced from PubChem (CID 103947427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).