[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone

C22H21FN4O3 — CID 90411925

IUPAC[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C22H21FN4O3/c1-13-2-5-17(21-24-8-9-29-21)20(26-13)22(28)27-16-4-6-18(27)14(10-16)12-30-19-7-3-15(23)11-25-19/h2-3,5,7-9,11,14,16,18H,4,6,10,12H2,1H3
InChIKeyPXRGSQSWFRMRIG-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.65
Rot. Bonds5

About [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone

[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (PubChem CID 90411925) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
PubChem CID90411925
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1
InChIInChI=1S/C22H21FN4O3/c1-13-2-5-17(21-24-8-9-29-21)20(26-13)22(28)27-16-4-6-18(27)14(10-16)12-30-19-7-3-15(23)11-25-19/h2-3,5,7-9,11,14,16,18H,4,6,10,12H2,1H3
InChIKeyPXRGSQSWFRMRIG-UHFFFAOYSA-N
XLogP3.65
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (CID 90411925) is [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone is Cc1ccc(-c2ncco2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is PXRGSQSWFRMRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-13-2-5-17(21-24-8-9-29-21)20(26-13)22(28)27-16-4-6-18(27)14(10-16)12-30-19-7-3-15(23)11-25-19/h2-3,5,7-9,11,14,16,18H,4,6,10,12H2,1H3.
What are the key properties of [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 408.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 90411925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).