(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H9F3N4O2 — CID 114937758

IUPAC(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(C(N)c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H9F3N4O2/c1-18-6-3-2-5(4-15-6)7(14)8-16-9(19-17-8)10(11,12)13/h2-4,7H,14H2,1H3
InChIKeyHGWTUVLFIDSWQC-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.54
Rot. Bonds3

About (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 114937758) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID114937758
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCOc1ccc(C(N)c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H9F3N4O2/c1-18-6-3-2-5(4-15-6)7(14)8-16-9(19-17-8)10(11,12)13/h2-4,7H,14H2,1H3
InChIKeyHGWTUVLFIDSWQC-UHFFFAOYSA-N
XLogP1.54
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
CID 114937757
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(4-propan-2-yloxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 60916940
(4-iodophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114283080
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43559979
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 113298197
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methoxyphenyl)methanamine
CID 43559879
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-propoxyphenyl)methanamine
CID 62496967

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 114937758) is (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is COc1ccc(C(N)c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is HGWTUVLFIDSWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-18-6-3-2-5(4-15-6)7(14)8-16-9(19-17-8)10(11,12)13/h2-4,7H,14H2,1H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 274.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 114937758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).