2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid

C19H16FN3O3 — CID 56754283

IUPAC2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCc3onc(-c4ccccc4F)c3C2)n1
InChIInChI=1S/C19H16FN3O3/c1-11-6-7-13(19(24)25)18(21-11)23-9-8-16-14(10-23)17(22-26-16)12-4-2-3-5-15(12)20/h2-7H,8-10H2,1H3,(H,24,25)
InChIKeyGUWHBBLXVWOYCK-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.45
Rot. Bonds3

About 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid

2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 56754283) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID56754283
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2CCc3onc(-c4ccccc4F)c3C2)n1
InChIInChI=1S/C19H16FN3O3/c1-11-6-7-13(19(24)25)18(21-11)23-9-8-16-14(10-23)17(22-26-16)12-4-2-3-5-15(12)20/h2-7H,8-10H2,1H3,(H,24,25)
InChIKeyGUWHBBLXVWOYCK-UHFFFAOYSA-N
XLogP3.45
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid (CID 56754283) is 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2CCc3onc(-c4ccccc4F)c3C2)n1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is GUWHBBLXVWOYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-6-7-13(19(24)25)18(21-11)23-9-8-16-14(10-23)17(22-26-16)12-4-2-3-5-15(12)20/h2-7H,8-10H2,1H3,(H,24,25).
What are the key properties of 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid?
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 56754283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).