N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

C18H15FN2O2 — CID 3243889

IUPACN-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-15-8-6-14(7-9-15)18-21-16(12-23-18)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyKBLGMEAYKKOZNE-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.34
Rot. Bonds5

About N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide

N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 3243889) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID3243889
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
SMILESO=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-15-8-6-14(7-9-15)18-21-16(12-23-18)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyKBLGMEAYKKOZNE-UHFFFAOYSA-N
XLogP3.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide (CID 3243889) is N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is O=C(Cc1coc(-c2ccc(F)cc2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is KBLGMEAYKKOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-8-6-14(7-9-15)18-21-16(12-23-18)10-17(22)20-11-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide?
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 3243889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).