5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

C23H22FN3O5 — CID 154877238

IUPAC5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)COc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C23H22FN3O5/c24-16-6-8-19(9-7-16)30-14-20-12-21(26-32-20)23(29)25-17-10-11-27(13-17)22(28)15-31-18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,25,29)
InChIKeyXPAUJODTPZTBNO-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.80
Rot. Bonds8

About 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 154877238) has the molecular formula C23H22FN3O5 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID154877238
Molecular FormulaC23H22FN3O5
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)COc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C23H22FN3O5/c24-16-6-8-19(9-7-16)30-14-20-12-21(26-32-20)23(29)25-17-10-11-27(13-17)22(28)15-31-18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,25,29)
InChIKeyXPAUJODTPZTBNO-UHFFFAOYSA-N
XLogP2.80
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 167925570
[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]methanone
CID 110164758
N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124846611
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
2-(4-fluorophenoxy)-1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 78877405
(2S,3R)-3-methyl-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124861312
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide (CID 154877238) is 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is O=C(NC1CCN(C(=O)COc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is XPAUJODTPZTBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5/c24-16-6-8-19(9-7-16)30-14-20-12-21(26-32-20)23(29)25-17-10-11-27(13-17)22(28)15-31-18-4-2-1-3-5-18/h1-9,12,17H,10-11,13-15H2,(H,25,29).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154877238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).