2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol

C20H15N3O3 — CID 4086632

IUPAC2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O
InChIInChI=1S/C20H15N3O3/c1-25-16-5-2-4-14(18(16)24)12-22-15-9-7-13(8-10-15)20-23-19-17(26-20)6-3-11-21-19/h2-12,24H,1H3/b22-12+
InChIKeyKWCORDRIQKNUPC-WSDLNYQXSA-N
MW345.36 g/mol
LogP4.35
Rot. Bonds4

About 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol

2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol (PubChem CID 4086632) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
PubChem CID4086632
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O
InChIInChI=1S/C20H15N3O3/c1-25-16-5-2-4-14(18(16)24)12-22-15-9-7-13(8-10-15)20-23-19-17(26-20)6-3-11-21-19/h2-12,24H,1H3/b22-12+
InChIKeyKWCORDRIQKNUPC-WSDLNYQXSA-N
XLogP4.35
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol (CID 4086632) is 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol is COc1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is KWCORDRIQKNUPC-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-16-5-2-4-14(18(16)24)12-22-15-9-7-13(8-10-15)20-23-19-17(26-20)6-3-11-21-19/h2-12,24H,1H3/b22-12+.
What are the key properties of 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol?
2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 345.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 4086632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).