2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine

C14H12N2O2 — CID 82337417

IUPAC2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncccc3o2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)9-13-16-14-12(18-13)3-2-8-15-14/h2-8H,9H2,1H3
InChIKeyZMKBVGDODMMHIM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.82
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine

2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 82337417) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID82337417
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncccc3o2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)9-13-16-14-12(18-13)3-2-8-15-14/h2-8H,9H2,1H3
InChIKeyZMKBVGDODMMHIM-UHFFFAOYSA-N
XLogP2.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine (CID 82337417) is 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine is COc1ccc(Cc2nc3ncccc3o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is ZMKBVGDODMMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)9-13-16-14-12(18-13)3-2-8-15-14/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 240.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 82337417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).