3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine

C9H13NO3 — CID 134277947

IUPAC3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCOC1=CC=CN2C(OC)COC12
InChIInChI=1S/C9H13NO3/c1-11-7-4-3-5-10-8(12-2)6-13-9(7)10/h3-5,8-9H,6H2,1-2H3
InChIKeyBIIPTCIQEBZRMI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.67
Rot. Bonds2

About 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine

3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine (PubChem CID 134277947) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine
PubChem CID134277947
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine
SMILESCOC1=CC=CN2C(OC)COC12
InChIInChI=1S/C9H13NO3/c1-11-7-4-3-5-10-8(12-2)6-13-9(7)10/h3-5,8-9H,6H2,1-2H3
InChIKeyBIIPTCIQEBZRMI-UHFFFAOYSA-N
XLogP0.67
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The IUPAC name of 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine (CID 134277947) is 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine.
What is the SMILES notation for 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The canonical SMILES for 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine is COC1=CC=CN2C(OC)COC12.
What is the InChIKey of 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine?
The InChIKey is BIIPTCIQEBZRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-11-7-4-3-5-10-8(12-2)6-13-9(7)10/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine?
3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine has a molecular weight of 183.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-3,8a-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine is sourced from PubChem (CID 134277947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).