ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine

C11H18N2O — CID 143976601

IUPACethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC.CC.Cc1ccnc2cnoc12
InChIInChI=1S/C7H6N2O.2C2H6/c1-5-2-3-8-6-4-9-10-7(5)6;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyPVJPOLNKPBLPKR-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.58
Rot. Bonds

About ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine

ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 143976601) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Nameethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID143976601
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
SMILESCC.CC.Cc1ccnc2cnoc12
InChIInChI=1S/C7H6N2O.2C2H6/c1-5-2-3-8-6-4-9-10-7(5)6;2*1-2/h2-4H,1H3;2*1-2H3
InChIKeyPVJPOLNKPBLPKR-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine (CID 143976601) is ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine is CC.CC.Cc1ccnc2cnoc12.
What is the InChIKey of ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is PVJPOLNKPBLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.2C2H6/c1-5-2-3-8-6-4-9-10-7(5)6;2*1-2/h2-4H,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine?
ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 194.28 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 143976601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).