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

C18H21FN2O4 — CID 118536697

IUPAC5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COCc2cccc(F)c2)on1
InChIInChI=1S/C18H21FN2O4/c19-15-3-1-2-14(8-15)11-24-12-16-9-17(21-25-16)18(22)20-10-13-4-6-23-7-5-13/h1-3,8-9,13H,4-7,10-12H2,(H,20,22)
InChIKeySGZMTRXDDHEBLX-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.69
Rot. Bonds7

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

5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536697) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID118536697
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOCC1)c1cc(COCc2cccc(F)c2)on1
InChIInChI=1S/C18H21FN2O4/c19-15-3-1-2-14(8-15)11-24-12-16-9-17(21-25-16)18(22)20-10-13-4-6-23-7-5-13/h1-3,8-9,13H,4-7,10-12H2,(H,20,22)
InChIKeySGZMTRXDDHEBLX-UHFFFAOYSA-N
XLogP2.69
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 118536697) is 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOCC1)c1cc(COCc2cccc(F)c2)on1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SGZMTRXDDHEBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-15-3-1-2-14(8-15)11-24-12-16-9-17(21-25-16)18(22)20-10-13-4-6-23-7-5-13/h1-3,8-9,13H,4-7,10-12H2,(H,20,22).
What are the key properties of 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).