7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine

C10H11BrN2O — CID 84708458

IUPAC7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)Cc1nc2nccc(Br)c2o1
InChIInChI=1S/C10H11BrN2O/c1-6(2)5-8-13-10-9(14-8)7(11)3-4-12-10/h3-4,6H,5H2,1-2H3
InChIKeyVIRMNULPCDSPDI-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.18
Rot. Bonds2

About 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine

7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 84708458) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID84708458
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)Cc1nc2nccc(Br)c2o1
InChIInChI=1S/C10H11BrN2O/c1-6(2)5-8-13-10-9(14-8)7(11)3-4-12-10/h3-4,6H,5H2,1-2H3
InChIKeyVIRMNULPCDSPDI-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine-7-carboxylic acid
CID 84685462
7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 84702337
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
CID 82233690
2-(2-methylpropyl)-5-propan-2-yl-1,3-oxazole
CID 58499249
[7-[(2-methylpropan-2-yl)oxy]-[1,3]oxazolo[4,5-b]pyridin-2-yl]methanamine
CID 84686693
7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 84667236
7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
CID 84690907
5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
CID 84678071
2-(1-chloroethyl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 16768352
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
3-[3,5-dibromo-4-[[7-fluoro-2-(2-methylpropyl)-1,3-benzoxazol-6-yl]oxy]phenyl]-2-fluoropropanoic acid
CID 87483524
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine (CID 84708458) is 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine is CC(C)Cc1nc2nccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is VIRMNULPCDSPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6(2)5-8-13-10-9(14-8)7(11)3-4-12-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine?
7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 255.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84708458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).