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

C14H13FN2O3 — CID 22427390

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(F)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyYMMHVTMLKWMXID-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.95
Rot. Bonds2

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

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 22427390) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID22427390
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(F)cc2)on1)N1CCOCC1
InChIInChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2
InChIKeyYMMHVTMLKWMXID-UHFFFAOYSA-N
XLogP1.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 22427390) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc(F)cc2)on1)N1CCOCC1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is YMMHVTMLKWMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-3-1-10(2-4-11)13-9-12(16-20-13)14(18)17-5-7-19-8-6-17/h1-4,9H,5-8H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 276.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22427390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).