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

C17H19FN2O3 — CID 53161757

IUPAC3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C17H19FN2O3/c18-14-6-3-12(4-7-14)17-13(11-23-20-17)5-8-16(21)19-10-15-2-1-9-22-15/h3-4,6-7,11,15H,1-2,5,8-10H2,(H,19,21)
InChIKeyQJKKGQYLCWWADU-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.71
Rot. Bonds6

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

3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 53161757) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID53161757
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1conc1-c1ccc(F)cc1)NCC1CCCO1
InChIInChI=1S/C17H19FN2O3/c18-14-6-3-12(4-7-14)17-13(11-23-20-17)5-8-16(21)19-10-15-2-1-9-22-15/h3-4,6-7,11,15H,1-2,5,8-10H2,(H,19,21)
InChIKeyQJKKGQYLCWWADU-UHFFFAOYSA-N
XLogP2.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 53161757) is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1conc1-c1ccc(F)cc1)NCC1CCCO1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is QJKKGQYLCWWADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-6-3-12(4-7-14)17-13(11-23-20-17)5-8-16(21)19-10-15-2-1-9-22-15/h3-4,6-7,11,15H,1-2,5,8-10H2,(H,19,21).
What are the key properties of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 318.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 53161757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).