azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine

C8H11N3O — CID 118387720

IUPACazane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C)oc2n1.N
InChIInChI=1S/C8H8N2O.H3N/c1-5-3-4-7-8(9-5)11-6(2)10-7;/h3-4H,1-2H3;1H3
InChIKeyRLERLEBLPJFUDS-UHFFFAOYSA-N
MW165.20 g/mol
LogP2.00
Rot. Bonds

About azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine

azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 118387720) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameazane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID118387720
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Nameazane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C)oc2n1.N
InChIInChI=1S/C8H8N2O.H3N/c1-5-3-4-7-8(9-5)11-6(2)10-7;/h3-4H,1-2H3;1H3
InChIKeyRLERLEBLPJFUDS-UHFFFAOYSA-N
XLogP2.00
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine (CID 118387720) is azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc2nc(C)oc2n1.N.
What is the InChIKey of azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is RLERLEBLPJFUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.H3N/c1-5-3-4-7-8(9-5)11-6(2)10-7;/h3-4H,1-2H3;1H3.
What are the key properties of azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine?
azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 165.20 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 118387720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).