N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide

C17H13FN2O2 — CID 91888260

IUPACN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cnoc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-15-8-6-12(7-9-15)16-14(11-20-22-16)10-19-17(21)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,21)
InChIKeyWSOATIPOKWRGQN-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.41
Rot. Bonds4

About N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide

N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide (PubChem CID 91888260) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide
PubChem CID91888260
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide
SMILESO=C(NCc1cnoc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FN2O2/c18-15-8-6-12(7-9-15)16-14(11-20-22-16)10-19-17(21)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,21)
InChIKeyWSOATIPOKWRGQN-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide (CID 91888260) is N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide is O=C(NCc1cnoc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide?
The InChIKey is WSOATIPOKWRGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c18-15-8-6-12(7-9-15)16-14(11-20-22-16)10-19-17(21)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide?
N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide has a molecular weight of 296.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 91888260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).