(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine

C13H18N4O2 — CID 114937757

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)12-16-11(17-19-12)10(14)8-5-6-9(18-4)15-7-8/h5-7,10H,14H2,1-4H3
InChIKeySNSIJEQJHDMIGS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.82
Rot. Bonds3

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine (PubChem CID 114937757) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
PubChem CID114937757
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)12-16-11(17-19-12)10(14)8-5-6-9(18-4)15-7-8/h5-7,10H,14H2,1-4H3
InChIKeySNSIJEQJHDMIGS-UHFFFAOYSA-N
XLogP1.82
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine with MolForge

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Related Compounds

(6-methoxy-3-pyridinyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114937758
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
CID 104822915
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-tert-butylphenyl)methanamine
CID 43559856
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(4-fluorophenyl)methanamine
CID 43559883
(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
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
CID 66117759
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine (CID 114937757) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine is COc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine?
The InChIKey is SNSIJEQJHDMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,3)12-16-11(17-19-12)10(14)8-5-6-9(18-4)15-7-8/h5-7,10H,14H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 114937757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).