[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone

C14H15FN2O3 — CID 17095765

IUPAC[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCOCC1
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-10(2-4-11)12-9-13(20-16-12)14(18)17-5-7-19-8-6-17/h1-4,13H,5-9H2
InChIKeyAUQWBFYQSJWEBP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.18
Rot. Bonds2

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

[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 17095765) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID17095765
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N1CCOCC1
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-10(2-4-11)12-9-13(20-16-12)14(18)17-5-7-19-8-6-17/h1-4,13H,5-9H2
InChIKeyAUQWBFYQSJWEBP-UHFFFAOYSA-N
XLogP1.18
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 17095765) is [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCOCC1.
What is the InChIKey of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is AUQWBFYQSJWEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-11-3-1-10(2-4-11)12-9-13(20-16-12)14(18)17-5-7-19-8-6-17/h1-4,13H,5-9H2.
What are the key properties of [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 278.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17095765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).