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

C10H9Br2N3O — CID 106373954

IUPAC3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
SMILESCc1cnc(CNc2ncc(Br)cc2Br)o1
InChIInChI=1S/C10H9Br2N3O/c1-6-3-13-9(16-6)5-15-10-8(12)2-7(11)4-14-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWZYUIFHFXROWFB-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.52
Rot. Bonds3

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

3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine (PubChem CID 106373954) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
PubChem CID106373954
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
SMILESCc1cnc(CNc2ncc(Br)cc2Br)o1
InChIInChI=1S/C10H9Br2N3O/c1-6-3-13-9(16-6)5-15-10-8(12)2-7(11)4-14-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyWZYUIFHFXROWFB-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
3,5-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106374390
1-(3,5-dibromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275470
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107143525
3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 84587908
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561
1-(3,5-dibromo-2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738789
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
3,5-difluoro-6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106379001
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine (CID 106373954) is 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine is Cc1cnc(CNc2ncc(Br)cc2Br)o1.
What is the InChIKey of 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is WZYUIFHFXROWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c1-6-3-13-9(16-6)5-15-10-8(12)2-7(11)4-14-10/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine?
3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 347.01 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 106373954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).