2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide

C21H26FN3O4 — CID 28822865

IUPAC2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCC1)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C21H26FN3O4/c22-16-4-3-5-17(12-16)28-14-19-24-18(13-29-19)20(26)23-15-21(6-1-2-7-21)25-8-10-27-11-9-25/h3-5,12-13H,1-2,6-11,14-15H2,(H,23,26)
InChIKeyOUEGHOKQNLGANY-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.77
Rot. Bonds7

About 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide

2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 28822865) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID28822865
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCC1)c1coc(COc2cccc(F)c2)n1
InChIInChI=1S/C21H26FN3O4/c22-16-4-3-5-17(12-16)28-14-19-24-18(13-29-19)20(26)23-15-21(6-1-2-7-21)25-8-10-27-11-9-25/h3-5,12-13H,1-2,6-11,14-15H2,(H,23,26)
InChIKeyOUEGHOKQNLGANY-UHFFFAOYSA-N
XLogP2.77
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide (CID 28822865) is 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide is O=C(NCC1(N2CCOCC2)CCCC1)c1coc(COc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OUEGHOKQNLGANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c22-16-4-3-5-17(12-16)28-14-19-24-18(13-29-19)20(26)23-15-21(6-1-2-7-21)25-8-10-27-11-9-25/h3-5,12-13H,1-2,6-11,14-15H2,(H,23,26).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide?
2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 28822865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).