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

C19H17FN2O2 — CID 53161760

IUPACN-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-17-9-6-15(7-10-17)19-16(13-24-22-19)8-11-18(23)21-12-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,21,23)
InChIKeyCJZZSPXEPUCZOP-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.73
Rot. Bonds6

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

N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161760) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161760
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-17-9-6-15(7-10-17)19-16(13-24-22-19)8-11-18(23)21-12-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,21,23)
InChIKeyCJZZSPXEPUCZOP-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 53161760) is N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1conc1-c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is CJZZSPXEPUCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-17-9-6-15(7-10-17)19-16(13-24-22-19)8-11-18(23)21-12-14-4-2-1-3-5-14/h1-7,9-10,13H,8,11-12H2,(H,21,23).
What are the key properties of N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 324.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).