5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine

C11H13BrN4O — CID 106369404

IUPAC5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
SMILESCCc1cnc(CNc2c(N)cncc2Br)o1
InChIInChI=1S/C11H13BrN4O/c1-2-7-3-15-10(17-7)6-16-11-8(12)4-14-5-9(11)13/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyAKBKUOWJKBIZEX-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine

5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 106369404) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
PubChem CID106369404
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
SMILESCCc1cnc(CNc2c(N)cncc2Br)o1
InChIInChI=1S/C11H13BrN4O/c1-2-7-3-15-10(17-7)6-16-11-8(12)4-14-5-9(11)13/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyAKBKUOWJKBIZEX-UHFFFAOYSA-N
XLogP2.59
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
CID 103518189
5-bromo-4-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3,4-diamine
CID 103517973
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
3-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-propoxybenzene-1,3-diamine
CID 106369566
5-bromo-4-N-(1,2-oxazol-3-ylmethyl)pyridine-3,4-diamine
CID 103518351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine (CID 106369404) is 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine is CCc1cnc(CNc2c(N)cncc2Br)o1.
What is the InChIKey of 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is AKBKUOWJKBIZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-7-3-15-10(17-7)6-16-11-8(12)4-14-5-9(11)13/h3-5H,2,6,13H2,1H3,(H,14,16).
What are the key properties of 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine?
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 297.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 106369404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).