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

C10H11ClN2O — CID 84678071

IUPAC5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)Cc1nc2ccc(Cl)nc2o1
InChIInChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3
InChIKeyBYLHXEXEFWILIJ-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.07
Rot. Bonds2

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

5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 84678071) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID84678071
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)Cc1nc2ccc(Cl)nc2o1
InChIInChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3
InChIKeyBYLHXEXEFWILIJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358036
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
2-(3-methylbutyl)-1,3-benzoxazole;2-(2-methylpropyl)-1,3-benzoxazole
CID 177208287
1-(6-chloro-[1,3]oxazolo[5,4-b]pyridin-2-yl)propan-2-amine
CID 83885653
5,6-dimethoxy-2-(2-methylpropyl)-1,3-benzoxazole
CID 82231715
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)methanamine
CID 84655982
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81434041
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]ethanone
CID 82285127
5-(chloromethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole
CID 131081482
[5-methyl-2-(2-methylpropyl)-1,3-oxazol-4-yl]methanamine
CID 82503114
5-bromo-7-ethyl-2-(2-methylpropyl)-1,3-benzoxazole
CID 82233690
2-(2,2-diphenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine (CID 84678071) is 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine is CC(C)Cc1nc2ccc(Cl)nc2o1.
What is the InChIKey of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BYLHXEXEFWILIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(2)5-9-12-7-3-4-8(11)13-10(7)14-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine?
5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 210.66 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 84678071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).