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

C20H24FN3O4 — CID 138385868

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)no1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)27-14-15-4-3-7-24(13-15)20(25)18-12-19(22-28-18)23-8-10-26-11-9-23/h1-2,5-6,12,15H,3-4,7-11,13-14H2
InChIKeyFDAUBOAICYAAQL-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.58
Rot. Bonds5

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

[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone (PubChem CID 138385868) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
PubChem CID138385868
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(N2CCOCC2)no1)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)27-14-15-4-3-7-24(13-15)20(25)18-12-19(22-28-18)23-8-10-26-11-9-23/h1-2,5-6,12,15H,3-4,7-11,13-14H2
InChIKeyFDAUBOAICYAAQL-UHFFFAOYSA-N
XLogP2.58
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone (CID 138385868) is [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone is O=C(c1cc(N2CCOCC2)no1)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is FDAUBOAICYAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-16-5-1-2-6-17(16)27-14-15-4-3-7-24(13-15)20(25)18-12-19(22-28-18)23-8-10-26-11-9-23/h1-2,5-6,12,15H,3-4,7-11,13-14H2.
What are the key properties of [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone?
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 389.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(3-morpholin-4-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 138385868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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