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

C15H18FN3O2 — CID 64759750

IUPAC2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CNCCO2)n1
InChIInChI=1S/C15H18FN3O2/c1-15(2,10-3-5-11(16)6-4-10)14-18-13(21-19-14)12-9-17-7-8-20-12/h3-6,12,17H,7-9H2,1-2H3
InChIKeyNTLYNQJHEGCRDV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.20
Rot. Bonds3

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

2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 64759750) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID64759750
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C2CNCCO2)n1
InChIInChI=1S/C15H18FN3O2/c1-15(2,10-3-5-11(16)6-4-10)14-18-13(21-19-14)12-9-17-7-8-20-12/h3-6,12,17H,7-9H2,1-2H3
InChIKeyNTLYNQJHEGCRDV-UHFFFAOYSA-N
XLogP2.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine (CID 64759750) is 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine is CC(C)(c1ccc(F)cc1)c1noc(C2CNCCO2)n1.
What is the InChIKey of 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is NTLYNQJHEGCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(2,10-3-5-11(16)6-4-10)14-18-13(21-19-14)12-9-17-7-8-20-12/h3-6,12,17H,7-9H2,1-2H3.
What are the key properties of 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 291.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 64759750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).