[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate

C13H13N3O4 — CID 700115

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1
InChIInChI=1S/C13H13N3O4/c17-13(16-5-7-18-8-6-16)20-11-3-1-10(2-4-11)12-15-14-9-19-12/h1-4,9H,5-8H2
InChIKeyNLOHTQAYXWBHKO-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.57
Rot. Bonds2

About [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate

[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate (PubChem CID 700115) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate
PubChem CID700115
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1
InChIInChI=1S/C13H13N3O4/c17-13(16-5-7-18-8-6-16)20-11-3-1-10(2-4-11)12-15-14-9-19-12/h1-4,9H,5-8H2
InChIKeyNLOHTQAYXWBHKO-UHFFFAOYSA-N
XLogP1.57
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate (CID 700115) is [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate is O=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate?
The InChIKey is NLOHTQAYXWBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-13(16-5-7-18-8-6-16)20-11-3-1-10(2-4-11)12-15-14-9-19-12/h1-4,9H,5-8H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 700115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).