[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

C19H23FN2O4 — CID 45219011

IUPAC[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C19H23FN2O4/c1-24-11-9-14-6-4-5-10-22(14)19(23)16-12-26-18(21-16)13-25-17-8-3-2-7-15(17)20/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3
InChIKeyUSSZIFWZXADCJN-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.42
Rot. Bonds7

About [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone

[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 45219011) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID45219011
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1coc(COc2ccccc2F)n1
InChIInChI=1S/C19H23FN2O4/c1-24-11-9-14-6-4-5-10-22(14)19(23)16-12-26-18(21-16)13-25-17-8-3-2-7-15(17)20/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3
InChIKeyUSSZIFWZXADCJN-UHFFFAOYSA-N
XLogP3.42
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 45219011) is [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCCCN1C(=O)c1coc(COc2ccccc2F)n1.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is USSZIFWZXADCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-24-11-9-14-6-4-5-10-22(14)19(23)16-12-26-18(21-16)13-25-17-8-3-2-7-15(17)20/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone?
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 362.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45219011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).