[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C13H15FN4O2 — CID 117445862

IUPAC[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(N3CCOCC3)c(F)c2)no1
InChIInChI=1S/C13H15FN4O2/c14-10-7-9(13-16-12(8-15)20-17-13)1-2-11(10)18-3-5-19-6-4-18/h1-2,7H,3-6,8,15H2
InChIKeyPDYWPMFBQNTTME-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.17
Rot. Bonds3

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

[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117445862) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117445862
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc(N3CCOCC3)c(F)c2)no1
InChIInChI=1S/C13H15FN4O2/c14-10-7-9(13-16-12(8-15)20-17-13)1-2-11(10)18-3-5-19-6-4-18/h1-2,7H,3-6,8,15H2
InChIKeyPDYWPMFBQNTTME-UHFFFAOYSA-N
XLogP1.17
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117445862) is [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccc(N3CCOCC3)c(F)c2)no1.
What is the InChIKey of [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PDYWPMFBQNTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-10-7-9(13-16-12(8-15)20-17-13)1-2-11(10)18-3-5-19-6-4-18/h1-2,7H,3-6,8,15H2.
What are the key properties of [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 278.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117445862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).