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5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid

C19H14N4O5 — CID 130476687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid
SMILESCOc1cccnc1COc1cnc2oc(-c3ccc(C(=O)O)nc3)nc2c1
InChIInChI=1S/C19H14N4O5/c1-26-16-3-2-6-20-15(16)10-27-12-7-14-18(22-9-12)28-17(23-14)11-4-5-13(19(24)25)21-8-11/h2-9H,10H2,1H3,(H,24,25)
InChIKeyINIYVCIXEDDBRN-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.97
Rot. Bonds6

About 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid

5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid (PubChem CID 130476687) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid
PubChem CID130476687
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Name5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid
SMILESCOc1cccnc1COc1cnc2oc(-c3ccc(C(=O)O)nc3)nc2c1
InChIInChI=1S/C19H14N4O5/c1-26-16-3-2-6-20-15(16)10-27-12-7-14-18(22-9-12)28-17(23-14)11-4-5-13(19(24)25)21-8-11/h2-9H,10H2,1H3,(H,24,25)
InChIKeyINIYVCIXEDDBRN-UHFFFAOYSA-N
XLogP2.97
TPSA120.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid (CID 130476687) is 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid is COc1cccnc1COc1cnc2oc(-c3ccc(C(=O)O)nc3)nc2c1.
What is the InChIKey of 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is INIYVCIXEDDBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c1-26-16-3-2-6-20-15(16)10-27-12-7-14-18(22-9-12)28-17(23-14)11-4-5-13(19(24)25)21-8-11/h2-9H,10H2,1H3,(H,24,25).
What are the key properties of 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid?
5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 378.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-methoxy-2-pyridinyl)methoxy]-[1,3]oxazolo[5,4-b]pyridin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 130476687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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