1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine

C9H11NO — CID 123454255

IUPAC1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine
SMILESCC1=C2C=CC=CN2C(C)O1
InChIInChI=1S/C9H11NO/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8H,1-2H3
InChIKeyGMGLSFYJWOZDIW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.98
Rot. Bonds

About 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine

1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 123454255) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID123454255
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine
SMILESCC1=C2C=CC=CN2C(C)O1
InChIInChI=1S/C9H11NO/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8H,1-2H3
InChIKeyGMGLSFYJWOZDIW-UHFFFAOYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine (CID 123454255) is 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine is CC1=C2C=CC=CN2C(C)O1.
What is the InChIKey of 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is GMGLSFYJWOZDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-9-5-3-4-6-10(9)8(2)11-7/h3-6,8H,1-2H3.
What are the key properties of 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine?
1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 123454255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).