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

C18H22FN3O4 — CID 167925570

IUPAC5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCC(O)C1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C18H22FN3O4/c19-13-3-5-15(6-4-13)25-12-16-10-17(21-26-16)18(24)20-7-9-22-8-1-2-14(23)11-22/h3-6,10,14,23H,1-2,7-9,11-12H2,(H,20,24)
InChIKeyVBGQABJBKGXXJD-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.58
Rot. Bonds7

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

5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 167925570) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID167925570
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCN1CCCC(O)C1)c1cc(COc2ccc(F)cc2)on1
InChIInChI=1S/C18H22FN3O4/c19-13-3-5-15(6-4-13)25-12-16-10-17(21-26-16)18(24)20-7-9-22-8-1-2-14(23)11-22/h3-6,10,14,23H,1-2,7-9,11-12H2,(H,20,24)
InChIKeyVBGQABJBKGXXJD-UHFFFAOYSA-N
XLogP1.58
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24819558
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[(4-fluorophenoxy)methyl]-N-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 154877238
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110065
5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 42195960
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[(2,4-difluorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25490193
2-[(4-fluorophenoxy)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 56746715
5-[(4-acetamidophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335935
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 25383954
N-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45231108

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 167925570) is 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCN1CCCC(O)C1)c1cc(COc2ccc(F)cc2)on1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VBGQABJBKGXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c19-13-3-5-15(6-4-13)25-12-16-10-17(21-26-16)18(24)20-7-9-22-8-1-2-14(23)11-22/h3-6,10,14,23H,1-2,7-9,11-12H2,(H,20,24).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167925570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).