5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine

C9H9BrN4O — CID 103518351

IUPAC5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1ccon1
InChIInChI=1S/C9H9BrN4O/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-15-14-6/h1-2,4-5H,3,11H2,(H,12,13)
InChIKeyDZJULINLAPLVFE-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine

5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine (PubChem CID 103518351) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
PubChem CID103518351
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCc1ccon1
InChIInChI=1S/C9H9BrN4O/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-15-14-6/h1-2,4-5H,3,11H2,(H,12,13)
InChIKeyDZJULINLAPLVFE-UHFFFAOYSA-N
XLogP2.03
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
CID 103518189
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
5-bromo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 79492912
2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline
CID 81177136
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrazin-2-amine
CID 79493420
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
CID 103517902
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
CID 103518072
5-bromo-4-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3,4-diamine
CID 103518057
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine (CID 103518351) is 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine is Nc1cncc(Br)c1NCc1ccon1.
What is the InChIKey of 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine?
The InChIKey is DZJULINLAPLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-15-14-6/h1-2,4-5H,3,11H2,(H,12,13).
What are the key properties of 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine?
5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine has a molecular weight of 269.10 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103518351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).