7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine

C9H9BrN2O — CID 84702337

IUPAC7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1nc2nccc(Br)c2o1
InChIInChI=1S/C9H9BrN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3
InChIKeyNSVGXYCNIQCHSU-UHFFFAOYSA-N
MW241.09 g/mol
LogP3.11
Rot. Bonds1

About 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine

7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 84702337) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID84702337
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC(C)c1nc2nccc(Br)c2o1
InChIInChI=1S/C9H9BrN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3
InChIKeyNSVGXYCNIQCHSU-UHFFFAOYSA-N
XLogP3.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine
CID 84667236
7-bromo-2-(2-methylpropyl)-[1,3]oxazolo[4,5-b]pyridine
CID 84708458
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
5,11-di(propan-2-yl)-4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 70800007
7-bromo-2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazole
CID 151718922
4-bromo-3-fluoro-2-propan-2-ylpyridine
CID 130153363
4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
CID 83814775
2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 146446478
2-(5-bromo-2-pyridinyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 62958955
2,5-di(propan-2-yl)-1,3-oxazole
CID 21065018
5-bromo-2-propan-2-yl-1,3-benzoxazole-7-carbaldehyde
CID 83902756
4-bromo-2-(bromomethyl)-3-propan-2-ylpyridine
CID 177314312

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine (CID 84702337) is 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine is CC(C)c1nc2nccc(Br)c2o1.
What is the InChIKey of 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NSVGXYCNIQCHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5(2)9-12-8-7(13-9)6(10)3-4-11-8/h3-5H,1-2H3.
What are the key properties of 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine?
7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 241.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84702337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).