6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine

C11H14N4O2 — CID 113286515

IUPAC6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2cc(C)no2)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(17-15-7)6-13-11-9(12)3-4-10(14-11)16-2/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyCDJIEYJBTKLGAW-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.58
Rot. Bonds4

About 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine

6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine (PubChem CID 113286515) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
PubChem CID113286515
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2cc(C)no2)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(17-15-7)6-13-11-9(12)3-4-10(14-11)16-2/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyCDJIEYJBTKLGAW-UHFFFAOYSA-N
XLogP1.58
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine (CID 113286515) is 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine is COc1ccc(N)c(NCc2cc(C)no2)n1.
What is the InChIKey of 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine?
The InChIKey is CDJIEYJBTKLGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-8(17-15-7)6-13-11-9(12)3-4-10(14-11)16-2/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine has a molecular weight of 234.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 113286515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).