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

C13H18N4O — CID 104822915

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H18N4O/c1-8-5-6-9(7-15-8)10(14)11-16-12(18-17-11)13(2,3)4/h5-7,10H,14H2,1-4H3
InChIKeyCJHPDGDUJPJOLN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds2

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

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 104822915) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID104822915
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H18N4O/c1-8-5-6-9(7-15-8)10(14)11-16-12(18-17-11)13(2,3)4/h5-7,10H,14H2,1-4H3
InChIKeyCJHPDGDUJPJOLN-UHFFFAOYSA-N
XLogP2.12
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine (CID 104822915) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2noc(C(C)(C)C)n2)cn1.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is CJHPDGDUJPJOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-5-6-9(7-15-8)10(14)11-16-12(18-17-11)13(2,3)4/h5-7,10H,14H2,1-4H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 104822915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).