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

C23H20N2O5 — CID 58285138

IUPAC2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)17(26)11-14-7-4-5-8-16(14)23-25-22-18(30-23)9-6-10-24-22/h4-10,12-13H,11H2,1-3H3
InChIKeyKSJXBHQHQXOIJA-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.34
Rot. Bonds7

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

2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 58285138) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID58285138
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC
InChIInChI=1S/C23H20N2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)17(26)11-14-7-4-5-8-16(14)23-25-22-18(30-23)9-6-10-24-22/h4-10,12-13H,11H2,1-3H3
InChIKeyKSJXBHQHQXOIJA-UHFFFAOYSA-N
XLogP4.34
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone with MolForge

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Related Compounds

3-fluoro-4-methoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59679941
2-(2,5-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91684021
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
(3,4,5-trimethoxyphenyl) N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]carbamate
CID 59680281
(3,5-dimethoxyphenyl) N-amino-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 143844907
1,2-dimethoxybenzene;N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 143409399
2-(3-methoxy-4-pyridin-2-ylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 10286338
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 6496968
1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one
CID 19990516
2-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 159132459
[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate
CID 42813763
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 6496988

Frequently Asked Questions

What is the IUPAC name of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone (CID 58285138) is 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)Cc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC.
What is the InChIKey of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is KSJXBHQHQXOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-27-19-12-15(13-20(28-2)21(19)29-3)17(26)11-14-7-4-5-8-16(14)23-25-22-18(30-23)9-6-10-24-22/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone?
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 404.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 58285138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).