[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

C14H11F4N3O4 — CID 170355014

IUPAC[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESO=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCO[C@@H](CF)C1
InChIInChI=1S/C14H11F4N3O4/c15-4-6-5-21(1-2-24-6)14(23)12-19-13(25-20-12)7-3-8(16)10(18)11(22)9(7)17/h3,6,22H,1-2,4-5H2/t6-/m0/s1
InChIKeySJZHMEWBYDDJCP-LURJTMIESA-N
MW361.25 g/mol
LogP1.67
Rot. Bonds3

About [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone

[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (PubChem CID 170355014) has the molecular formula C14H11F4N3O4 and a molecular weight of 361.25 g/mol. Its IUPAC name is [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
PubChem CID170355014
Molecular FormulaC14H11F4N3O4
Molecular Weight361.25 g/mol
Exact Mass361.07
IUPAC Name[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone
SMILESO=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCO[C@@H](CF)C1
InChIInChI=1S/C14H11F4N3O4/c15-4-6-5-21(1-2-24-6)14(23)12-19-13(25-20-12)7-3-8(16)10(18)11(22)9(7)17/h3,6,22H,1-2,4-5H2/t6-/m0/s1
InChIKeySJZHMEWBYDDJCP-LURJTMIESA-N
XLogP1.67
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The IUPAC name of [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone (CID 170355014) is [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The canonical SMILES for [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is O=C(c1noc(-c2cc(F)c(F)c(O)c2F)n1)N1CCO[C@@H](CF)C1.
What is the InChIKey of [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
The InChIKey is SJZHMEWBYDDJCP-LURJTMIESA-N. The full InChI is InChI=1S/C14H11F4N3O4/c15-4-6-5-21(1-2-24-6)14(23)12-19-13(25-20-12)7-3-8(16)10(18)11(22)9(7)17/h3,6,22H,1-2,4-5H2/t6-/m0/s1.
What are the key properties of [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone?
[(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone has a molecular weight of 361.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(fluoromethyl)morpholin-4-yl]-[5-(2,4,5-trifluoro-3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]methanone is sourced from PubChem (CID 170355014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).