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

C21H20FN5O3 — CID 90412493

IUPAC[2-[(5-fluoropyrimidin-2-yl)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(COc2ncc(F)cn2)C3)n1
InChIInChI=1S/C21H20FN5O3/c1-12-2-4-16(19-23-6-7-29-19)18(26-12)20(28)27-15-3-5-17(27)13(8-15)11-30-21-24-9-14(22)10-25-21/h2,4,6-7,9-10,13,15,17H,3,5,8,11H2,1H3
InChIKeyFHSUUOFPYHOBCL-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.05
Rot. Bonds5

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

[2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (PubChem CID 90412493) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is [2-[(5-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
PubChem CID90412493
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name[2-[(5-fluoropyrimidin-2-yl)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(COc2ncc(F)cn2)C3)n1
InChIInChI=1S/C21H20FN5O3/c1-12-2-4-16(19-23-6-7-29-19)18(26-12)20(28)27-15-3-5-17(27)13(8-15)11-30-21-24-9-14(22)10-25-21/h2,4,6-7,9-10,13,15,17H,3,5,8,11H2,1H3
InChIKeyFHSUUOFPYHOBCL-UHFFFAOYSA-N
XLogP3.05
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(5-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone (CID 90412493) is [2-[(5-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)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-fluoropyrimidin-2-yl)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(COc2ncc(F)cn2)C3)n1.
What is the InChIKey of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is FHSUUOFPYHOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-12-2-4-16(19-23-6-7-29-19)18(26-12)20(28)27-15-3-5-17(27)13(8-15)11-30-21-24-9-14(22)10-25-21/h2,4,6-7,9-10,13,15,17H,3,5,8,11H2,1H3.
What are the key properties of [2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone?
[2-[(5-fluoropyrimidin-2-yl)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 409.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoropyrimidin-2-yl)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 90412493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).