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

C11H13BrN4O — CID 106369478

IUPAC5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCCc1cnc(CNc2ncc(Br)cc2N)o1
InChIInChI=1S/C11H13BrN4O/c1-2-8-5-14-10(17-8)6-16-11-9(13)3-7(12)4-15-11/h3-5H,2,6,13H2,1H3,(H,15,16)
InChIKeyPGHYEXBCUZIDRF-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.59
Rot. Bonds4

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

5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 106369478) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
PubChem CID106369478
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCCc1cnc(CNc2ncc(Br)cc2N)o1
InChIInChI=1S/C11H13BrN4O/c1-2-8-5-14-10(17-8)6-16-11-9(13)3-7(12)4-15-11/h3-5H,2,6,13H2,1H3,(H,15,16)
InChIKeyPGHYEXBCUZIDRF-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

2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404
6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369356
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine (CID 106369478) is 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine is CCc1cnc(CNc2ncc(Br)cc2N)o1.
What is the InChIKey of 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is PGHYEXBCUZIDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-2-8-5-14-10(17-8)6-16-11-9(13)3-7(12)4-15-11/h3-5H,2,6,13H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine?
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-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-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 106369478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).