[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H16F2N4O2 — CID 120751685

IUPAC[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCOC(c3ccc(F)c(F)c3)C2)no1
InChIInChI=1S/C14H16F2N4O2/c15-10-2-1-9(5-11(10)16)12-7-20(3-4-21-12)8-13-18-14(6-17)22-19-13/h1-2,5,12H,3-4,6-8,17H2
InChIKeyMGIBHXPKGVNEGN-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.38
Rot. Bonds4

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

[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120751685) has the molecular formula C14H16F2N4O2 and a molecular weight of 310.30 g/mol. Its IUPAC name is [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120751685
Molecular FormulaC14H16F2N4O2
Molecular Weight310.30 g/mol
Exact Mass310.12
IUPAC Name[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCOC(c3ccc(F)c(F)c3)C2)no1
InChIInChI=1S/C14H16F2N4O2/c15-10-2-1-9(5-11(10)16)12-7-20(3-4-21-12)8-13-18-14(6-17)22-19-13/h1-2,5,12H,3-4,6-8,17H2
InChIKeyMGIBHXPKGVNEGN-UHFFFAOYSA-N
XLogP1.38
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120751685) is [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCOC(c3ccc(F)c(F)c3)C2)no1.
What is the InChIKey of [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MGIBHXPKGVNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2/c15-10-2-1-9(5-11(10)16)12-7-20(3-4-21-12)8-13-18-14(6-17)22-19-13/h1-2,5,12H,3-4,6-8,17H2.
What are the key properties of [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 310.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120751685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).