3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine

C10H10BrN3O — CID 130877519

IUPAC3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
SMILESCc1ocnc1CNc1ncccc1Br
InChIInChI=1S/C10H10BrN3O/c1-7-9(14-6-15-7)5-13-10-8(11)3-2-4-12-10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyBLGGDICTJVAXFQ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.75
Rot. Bonds3

About 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine

3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine (PubChem CID 130877519) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
PubChem CID130877519
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
SMILESCc1ocnc1CNc1ncccc1Br
InChIInChI=1S/C10H10BrN3O/c1-7-9(14-6-15-7)5-13-10-8(11)3-2-4-12-10/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyBLGGDICTJVAXFQ-UHFFFAOYSA-N
XLogP2.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine (CID 130877519) is 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine is Cc1ocnc1CNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is BLGGDICTJVAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-7-9(14-6-15-7)5-13-10-8(11)3-2-4-12-10/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine?
3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 268.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 130877519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).