ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine

C18H26N2O — CID 91297789

IUPACethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC.CC.CC.c1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C12H8N2O.3C2H6/c1-2-5-9(6-3-1)12-14-11-10(15-12)7-4-8-13-11;3*1-2/h1-8H;3*1-2H3
InChIKeyLMJHESUMQZBKCD-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.97
Rot. Bonds1

About ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine

ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 91297789) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID91297789
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Nameethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
SMILESCC.CC.CC.c1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C12H8N2O.3C2H6/c1-2-5-9(6-3-1)12-14-11-10(15-12)7-4-8-13-11;3*1-2/h1-8H;3*1-2H3
InChIKeyLMJHESUMQZBKCD-UHFFFAOYSA-N
XLogP5.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine (CID 91297789) is ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine is CC.CC.CC.c1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is LMJHESUMQZBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O.3C2H6/c1-2-5-9(6-3-1)12-14-11-10(15-12)7-4-8-13-11;3*1-2/h1-8H;3*1-2H3.
What are the key properties of ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine?
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 286.42 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 91297789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).