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

C16H13FN2O2 — CID 107685658

IUPAC2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2cccc(-c3cnco3)c2)cc1F
InChIInChI=1S/C16H13FN2O2/c17-14-6-11(4-5-15(14)20)8-19-13-3-1-2-12(7-13)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2
InChIKeyZZINFIYRFRNLBZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.80
Rot. Bonds4

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

2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol (PubChem CID 107685658) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
PubChem CID107685658
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2cccc(-c3cnco3)c2)cc1F
InChIInChI=1S/C16H13FN2O2/c17-14-6-11(4-5-15(14)20)8-19-13-3-1-2-12(7-13)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2
InChIKeyZZINFIYRFRNLBZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol (CID 107685658) is 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol is Oc1ccc(CNc2cccc(-c3cnco3)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
The InChIKey is ZZINFIYRFRNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-6-11(4-5-15(14)20)8-19-13-3-1-2-12(7-13)16-9-18-10-21-16/h1-7,9-10,19-20H,8H2.
What are the key properties of 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol?
2-fluoro-4-[[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 2-fluoro-4-[[3-(1,3-oxazol-5-yl)anilino]methyl]phenol is sourced from PubChem (CID 107685658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).