1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

C9H14F2N4O2 — CID 113435617

IUPAC1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESNC(CN1CCOCC1)c1noc(C(F)F)n1
InChIInChI=1S/C9H14F2N4O2/c10-7(11)9-13-8(14-17-9)6(12)5-15-1-3-16-4-2-15/h6-7H,1-5,12H2
InChIKeyWJBXVCKOFZAVMU-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.34
Rot. Bonds4

About 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine

1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (PubChem CID 113435617) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
PubChem CID113435617
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC Name1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
SMILESNC(CN1CCOCC1)c1noc(C(F)F)n1
InChIInChI=1S/C9H14F2N4O2/c10-7(11)9-13-8(14-17-9)6(12)5-15-1-3-16-4-2-15/h6-7H,1-5,12H2
InChIKeyWJBXVCKOFZAVMU-UHFFFAOYSA-N
XLogP0.34
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-1-[5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636187
2-morpholin-4-yl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104636155
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
2-morpholin-4-yl-1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636166
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 114876459
1-[5-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104786455
2-morpholin-4-yl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636221
1-[5-(2-methylsulfonylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636243
1-[5-(3-chloro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636200
2-morpholin-4-yl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104636222
1-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 104635871
1-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636160

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine (CID 113435617) is 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is NC(CN1CCOCC1)c1noc(C(F)F)n1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
The InChIKey is WJBXVCKOFZAVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c10-7(11)9-13-8(14-17-9)6(12)5-15-1-3-16-4-2-15/h6-7H,1-5,12H2.
What are the key properties of 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine?
1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine has a molecular weight of 248.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 113435617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).