6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine

C11H12BrN3O — CID 106375419

IUPAC6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
SMILESCCc1cnc(CNc2cccc(Br)n2)o1
InChIInChI=1S/C11H12BrN3O/c1-2-8-6-14-11(16-8)7-13-10-5-3-4-9(12)15-10/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyRWKBCAHWZHSACG-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.01
Rot. Bonds4

About 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine

6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine (PubChem CID 106375419) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
PubChem CID106375419
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
SMILESCCc1cnc(CNc2cccc(Br)n2)o1
InChIInChI=1S/C11H12BrN3O/c1-2-8-6-14-11(16-8)7-13-10-5-3-4-9(12)15-10/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyRWKBCAHWZHSACG-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 114180453
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114181079
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375161
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
CID 106373414

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine (CID 106375419) is 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine is CCc1cnc(CNc2cccc(Br)n2)o1.
What is the InChIKey of 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is RWKBCAHWZHSACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-8-6-14-11(16-8)7-13-10-5-3-4-9(12)15-10/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 106375419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).