4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine

C16H18FN3O2 — CID 47523413

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2CN(Cc3nnc(C4CC4)o3)CCO2)cc1
InChIInChI=1S/C16H18FN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2
InChIKeyKZFNYLYYKDGKSV-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.66
Rot. Bonds4

About 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine (PubChem CID 47523413) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine
PubChem CID47523413
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2CN(Cc3nnc(C4CC4)o3)CCO2)cc1
InChIInChI=1S/C16H18FN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2
InChIKeyKZFNYLYYKDGKSV-UHFFFAOYSA-N
XLogP2.66
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine (CID 47523413) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine is Fc1ccc(C2CN(Cc3nnc(C4CC4)o3)CCO2)cc1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is KZFNYLYYKDGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2.
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 303.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 47523413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).