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

C10H11BrN2O — CID 130048276

IUPAC5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc(Br)nc2oc(C(C)C)nc12
InChIInChI=1S/C10H11BrN2O/c1-5(2)9-13-8-6(3)4-7(11)12-10(8)14-9/h4-5H,1-3H3
InChIKeyZMSWKGFZKSOKST-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.42
Rot. Bonds1

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

5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 130048276) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID130048276
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cc(Br)nc2oc(C(C)C)nc12
InChIInChI=1S/C10H11BrN2O/c1-5(2)9-13-8-6(3)4-7(11)12-10(8)14-9/h4-5H,1-3H3
InChIKeyZMSWKGFZKSOKST-UHFFFAOYSA-N
XLogP3.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-2-propan-2-yl-1,3-benzoxazol-7-amine
CID 82230266
4-bromo-5-methyl-2-propan-2-yl-1,3-oxazole
CID 83814775
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
4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
4,6-dichloro-2-propan-2-yl-1,3-benzoxazole
CID 82231317
4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
CID 58519669
5-chloro-6-methyl-2-propan-2-yl-1,3-benzoxazole
CID 118683714
3-(4-bromo-2,6-dimethylphenyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 13237467
6-chloro-5-methyl-2-propan-2-yl-1,3-benzoxazole
CID 82230552
2-(bromomethyl)-5-chloro-7-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 169206476
7-bromo-5-chloro-2-propan-2-yl-1,3-benzoxazole
CID 82095523
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 130048276) is 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is Cc1cc(Br)nc2oc(C(C)C)nc12.
What is the InChIKey of 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ZMSWKGFZKSOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-5(2)9-13-8-6(3)4-7(11)12-10(8)14-9/h4-5H,1-3H3.
What are the key properties of 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 255.11 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 130048276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).