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

C11H11Br2N3O — CID 103275470

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ncc(Br)cc2Br)o1
InChIInChI=1S/C11H11Br2N3O/c1-7-3-16-11(17-7)6-14-5-10-9(13)2-8(12)4-15-10/h2-4,14H,5-6H2,1H3
InChIKeyHHWNFWVSBWYFMT-UHFFFAOYSA-N
MW361.04 g/mol
LogP3.19
Rot. Bonds4

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

1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275470) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275470
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ncc(Br)cc2Br)o1
InChIInChI=1S/C11H11Br2N3O/c1-7-3-16-11(17-7)6-14-5-10-9(13)2-8(12)4-15-10/h2-4,14H,5-6H2,1H3
InChIKeyHHWNFWVSBWYFMT-UHFFFAOYSA-N
XLogP3.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506
1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738789
1-(3,5-dibromo-2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275664
1-(3,5-dibromo-2-pyridinyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 113428371
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
1-(3,5-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275502
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113428364
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 113393640
methyl 3-bromo-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzoate
CID 106372217

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275470) is 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2ncc(Br)cc2Br)o1.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is HHWNFWVSBWYFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c1-7-3-16-11(17-7)6-14-5-10-9(13)2-8(12)4-15-10/h2-4,14H,5-6H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 361.04 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).