5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

C17H19FN2O4 — CID 118536819

IUPAC5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C17H19FN2O4/c18-13-2-1-3-14(8-13)23-11-15-9-16(20-24-15)17(21)19-10-12-4-6-22-7-5-12/h1-3,8-9,12H,4-7,10-11H2,(H,19,21)
InChIKeyNNACQRSAEWNXLI-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.55
Rot. Bonds6

About 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536819) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536819
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COc2cccc(F)c2)on1
InChIInChI=1S/C17H19FN2O4/c18-13-2-1-3-14(8-13)23-11-15-9-16(20-24-15)17(21)19-10-12-4-6-22-7-5-12/h1-3,8-9,12H,4-7,10-11H2,(H,19,21)
InChIKeyNNACQRSAEWNXLI-UHFFFAOYSA-N
XLogP2.55
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536819) is 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOCC1)c1cc(COc2cccc(F)c2)on1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NNACQRSAEWNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-13-2-1-3-14(8-13)23-11-15-9-16(20-24-15)17(21)19-10-12-4-6-22-7-5-12/h1-3,8-9,12H,4-7,10-11H2,(H,19,21).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).