3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C8H8N2O2 — CID 15778595

IUPAC3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cnc2c(c1)oc(=O)n2C
InChIInChI=1S/C8H8N2O2/c1-5-3-6-7(9-4-5)10(2)8(11)12-6/h3-4H,1-2H3
InChIKeyGJLQEMKRMIVNAS-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.83
Rot. Bonds

About 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one

3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 15778595) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID15778595
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cnc2c(c1)oc(=O)n2C
InChIInChI=1S/C8H8N2O2/c1-5-3-6-7(9-4-5)10(2)8(11)12-6/h3-4H,1-2H3
InChIKeyGJLQEMKRMIVNAS-UHFFFAOYSA-N
XLogP0.83
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Azamethiphos
CID 71482
3-(2-ethylbenzyl)[1,3]oxazolo[4,5-b]pyridin-2(3H)-one
CID 2811801
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(3-(4-phenyl-1-piperazinyl)propyl)-
CID 126108
S 12813
CID 3035655
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(1-piperidinyl)ethyl)-
CID 3072032
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-methyl-1-piperazinyl)ethyl)-
CID 3072033
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(2-(4-morpholinyl)ethyl)-
CID 3072034
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-phenyl-1-piperazinyl)methyl)-
CID 3077454
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-
CID 3077461
Oxazolo(4,5-b)pyridin-2(3H)-one
CID 2799900
Oxazolo(4,5-b)pyridin-2(3H)-one, 3-(4-(4-phenyl-1-piperazinyl)butyl)-
CID 382819
6-Bromo-3H-oxazolo(4,5-b)pyridin-2-one
CID 13614458

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 15778595) is 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1cnc2c(c1)oc(=O)n2C.
What is the InChIKey of 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is GJLQEMKRMIVNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-3-6-7(9-4-5)10(2)8(11)12-6/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 15778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).