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

C8H9NO — CID 129137664

IUPAC3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine
SMILESCC1OC=C2C=CC=CN21
InChIInChI=1S/C8H9NO/c1-7-9-5-3-2-4-8(9)6-10-7/h2-7H,1H3
InChIKeyATEONWQJUKQKTO-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.59
Rot. Bonds

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

3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 129137664) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID129137664
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine
SMILESCC1OC=C2C=CC=CN21
InChIInChI=1S/C8H9NO/c1-7-9-5-3-2-4-8(9)6-10-7/h2-7H,1H3
InChIKeyATEONWQJUKQKTO-UHFFFAOYSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolo[3,2-a]pyridine
CID 18381166
5-Methyloxazolo[3,2-a]pyridine
CID 129794747
3H-[1,3]oxazolo[3,4-a]pyridine
CID 18442746
3-Oxa-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,7,11-tetraene
CID 20327576
6H-pyrrolo[2,1-c][1,4]oxazine
CID 21352921
Pyrido[2,1-c][1,4]oxazine
CID 21876565
carbanide;3-phenyl-2H-1,3-oxazole;rhodium(2+)
CID 57621957
carbanide;iridium;3-phenyl-2H-1,3-oxazole
CID 57622834
6-Methyl-5-methylidene-[1,3]oxazolo[3,2-a]pyridine
CID 59284242
6-ethoxy-1-propan-2-yl-2H-pyridine
CID 69103294
2,4-dimethyl-3-prop-2-enyl-2H-1,3-oxazole
CID 70596579
1,3-dimethyl-3H-[1,3]oxazolo[3,4-a]pyridine
CID 123454255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine (CID 129137664) is 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine is CC1OC=C2C=CC=CN21.
What is the InChIKey of 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is ATEONWQJUKQKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-7-9-5-3-2-4-8(9)6-10-7/h2-7H,1H3.
What are the key properties of 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine?
3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 135.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 129137664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).