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

C11H10BrN3O2 — CID 86781671

IUPAC5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1ocnc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O2/c1-7-10(15-6-17-7)5-14-11(16)9-3-2-8(12)4-13-9/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyPIBLDTCOKQOWRM-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.07
Rot. Bonds3

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

5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 86781671) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID86781671
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1ocnc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H10BrN3O2/c1-7-10(15-6-17-7)5-14-11(16)9-3-2-8(12)4-13-9/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyPIBLDTCOKQOWRM-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide (CID 86781671) is 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide is Cc1ocnc1CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is PIBLDTCOKQOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c1-7-10(15-6-17-7)5-14-11(16)9-3-2-8(12)4-13-9/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86781671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).