2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol

C19H13N3O2 — CID 3674144

IUPAC2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C19H13N3O2/c23-16-8-2-1-5-14(16)12-21-15-7-3-6-13(11-15)19-22-18-17(24-19)9-4-10-20-18/h1-12,23H/b21-12+
InChIKeySYSLMKYHMWIVOG-CIAFOILYSA-N
MW315.33 g/mol
LogP4.35
Rot. Bonds3

About 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol

2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol (PubChem CID 3674144) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
PubChem CID3674144
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C19H13N3O2/c23-16-8-2-1-5-14(16)12-21-15-7-3-6-13(11-15)19-22-18-17(24-19)9-4-10-20-18/h1-12,23H/b21-12+
InChIKeySYSLMKYHMWIVOG-CIAFOILYSA-N
XLogP4.35
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol (CID 3674144) is 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is SYSLMKYHMWIVOG-CIAFOILYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-16-8-2-1-5-14(16)12-21-15-7-3-6-13(11-15)19-22-18-17(24-19)9-4-10-20-18/h1-12,23H/b21-12+.
What are the key properties of 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 315.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3674144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).