3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea

C16H22FN3O2 — CID 24712061

IUPAC3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea
SMILESCCCN(CC1CC(c2ccc(F)cc2)=NO1)C(=O)NCC
InChIInChI=1S/C16H22FN3O2/c1-3-9-20(16(21)18-4-2)11-14-10-15(19-22-14)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyXYOGKJLTCIYPJN-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.76
Rot. Bonds6

About 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea

3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea (PubChem CID 24712061) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea
PubChem CID24712061
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea
SMILESCCCN(CC1CC(c2ccc(F)cc2)=NO1)C(=O)NCC
InChIInChI=1S/C16H22FN3O2/c1-3-9-20(16(21)18-4-2)11-14-10-15(19-22-14)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyXYOGKJLTCIYPJN-UHFFFAOYSA-N
XLogP2.76
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea?
The IUPAC name of 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea (CID 24712061) is 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea.
What is the SMILES notation for 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea?
The canonical SMILES for 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea is CCCN(CC1CC(c2ccc(F)cc2)=NO1)C(=O)NCC.
What is the InChIKey of 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea?
The InChIKey is XYOGKJLTCIYPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-3-9-20(16(21)18-4-2)11-14-10-15(19-22-14)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea?
3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea has a molecular weight of 307.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-propylurea is sourced from PubChem (CID 24712061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).