4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C19H17F2N3O2 — CID 46956725

IUPAC4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1F
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2
InChIKeyIOHPFUWZZQAEMH-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.59
Rot. Bonds4

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

4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 46956725) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID46956725
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1F
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2
InChIKeyIOHPFUWZZQAEMH-UHFFFAOYSA-N
XLogP3.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 46956725) is 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Fc1ccc(CN2CCOC(c3nc(-c4ccccc4)no3)C2)cc1F.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is IOHPFUWZZQAEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 357.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 46956725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).