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

C18H22FN3O3 — CID 138057193

IUPAC[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESCC(C)(N)c1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)on1
InChIInChI=1S/C18H22FN3O3/c1-18(2,20)16-11-15(25-21-16)17(23)22-8-6-13(7-9-22)24-14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9,20H2,1-2H3
InChIKeyPSFDACGHBHYEEX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.69
Rot. Bonds4

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

[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 138057193) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID138057193
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
SMILESCC(C)(N)c1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)on1
InChIInChI=1S/C18H22FN3O3/c1-18(2,20)16-11-15(25-21-16)17(23)22-8-6-13(7-9-22)24-14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9,20H2,1-2H3
InChIKeyPSFDACGHBHYEEX-UHFFFAOYSA-N
XLogP2.69
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone (CID 138057193) is [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is CC(C)(N)c1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)on1.
What is the InChIKey of [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is PSFDACGHBHYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-18(2,20)16-11-15(25-21-16)17(23)22-8-6-13(7-9-22)24-14-5-3-4-12(19)10-14/h3-5,10-11,13H,6-9,20H2,1-2H3.
What are the key properties of [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone?
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 347.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 138057193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).