1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C11H12BrN3O — CID 103275506

IUPAC1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(Br)cn2)o1
InChIInChI=1S/C11H12BrN3O/c1-8-4-15-11(16-8)7-13-6-10-3-2-9(12)5-14-10/h2-5,13H,6-7H2,1H3
InChIKeyXOCJYKSVPXKGAI-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.43
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275506) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275506
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(Br)cn2)o1
InChIInChI=1S/C11H12BrN3O/c1-8-4-15-11(16-8)7-13-6-10-3-2-9(12)5-14-10/h2-5,13H,6-7H2,1H3
InChIKeyXOCJYKSVPXKGAI-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

6-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridin-3-ol
CID 103275660
1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275470
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyrazin-2-ylmethanamine
CID 106370109
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 103275447
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738789
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275506) is 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc(Br)cn2)o1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is XOCJYKSVPXKGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-8-4-15-11(16-8)7-13-6-10-3-2-9(12)5-14-10/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).