[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

C19H22F2N2O5 — CID 24790110

IUPAC[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C19H22F2N2O5/c1-25-8-9-26-14-4-6-23(7-5-14)19(24)17-11-15(28-22-17)12-27-18-3-2-13(20)10-16(18)21/h2-3,10-11,14H,4-9,12H2,1H3
InChIKeyIQVSPACJTVMDRP-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.80
Rot. Bonds8

About [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone

[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 24790110) has the molecular formula C19H22F2N2O5 and a molecular weight of 396.39 g/mol. Its IUPAC name is [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID24790110
Molecular FormulaC19H22F2N2O5
Molecular Weight396.39 g/mol
Exact Mass396.15
IUPAC Name[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1
InChIInChI=1S/C19H22F2N2O5/c1-25-8-9-26-14-4-6-23(7-5-14)19(24)17-11-15(28-22-17)12-27-18-3-2-13(20)10-16(18)21/h2-3,10-11,14H,4-9,12H2,1H3
InChIKeyIQVSPACJTVMDRP-UHFFFAOYSA-N
XLogP2.80
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 24790110) is [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)CC1.
What is the InChIKey of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is IQVSPACJTVMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5/c1-25-8-9-26-14-4-6-23(7-5-14)19(24)17-11-15(28-22-17)12-27-18-3-2-13(20)10-16(18)21/h2-3,10-11,14H,4-9,12H2,1H3.
What are the key properties of [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 396.39 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 24790110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).