azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C16H19FN2O2 — CID 17095763

IUPACazepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCCC1
InChIInChI=1S/C16H19FN2O2/c17-13-7-5-12(6-8-13)14-11-15(21-18-14)16(20)19-9-3-1-2-4-10-19/h5-8,15H,1-4,9-11H2
InChIKeyJWNIOYYAIQWUNF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.72
Rot. Bonds2

About azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 17095763) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID17095763
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Nameazepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCCC1
InChIInChI=1S/C16H19FN2O2/c17-13-7-5-12(6-8-13)14-11-15(21-18-14)16(20)19-9-3-1-2-4-10-19/h5-8,15H,1-4,9-11H2
InChIKeyJWNIOYYAIQWUNF-UHFFFAOYSA-N
XLogP2.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 17095763) is azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is JWNIOYYAIQWUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-13-7-5-12(6-8-13)14-11-15(21-18-14)16(20)19-9-3-1-2-4-10-19/h5-8,15H,1-4,9-11H2.
What are the key properties of azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 290.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 17095763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).