4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide

C18H15FN2O3 — CID 47029676

IUPAC4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O3/c1-20-17(22)12-4-8-16(9-5-12)23-10-15-11-24-18(21-15)13-2-6-14(19)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyOOWQNHXDQYRRBR-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.42
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide

4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide (PubChem CID 47029676) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
PubChem CID47029676
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O3/c1-20-17(22)12-4-8-16(9-5-12)23-10-15-11-24-18(21-15)13-2-6-14(19)7-3-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyOOWQNHXDQYRRBR-UHFFFAOYSA-N
XLogP3.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide (CID 47029676) is 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide is CNC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
The InChIKey is OOWQNHXDQYRRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20-17(22)12-4-8-16(9-5-12)23-10-15-11-24-18(21-15)13-2-6-14(19)7-3-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide?
4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide has a molecular weight of 326.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide is sourced from PubChem (CID 47029676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).