6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C8H9N3O2 — CID 84656793

IUPAC6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCNCc1cnc2oc(=O)[nH]c2c1
InChIInChI=1S/C8H9N3O2/c1-9-3-5-2-6-7(10-4-5)13-8(12)11-6/h2,4,9H,3H2,1H3,(H,11,12)
InChIKeyUQNGKYDXURVQHE-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.24
Rot. Bonds2

About 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 84656793) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID84656793
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCNCc1cnc2oc(=O)[nH]c2c1
InChIInChI=1S/C8H9N3O2/c1-9-3-5-2-6-7(10-4-5)13-8(12)11-6/h2,4,9H,3H2,1H3,(H,11,12)
InChIKeyUQNGKYDXURVQHE-UHFFFAOYSA-N
XLogP0.24
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338154
5-chloro-7-(methylaminomethyl)-3H-1,3-benzoxazol-2-one
CID 83885886
6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115015321
N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 102544556
3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 102544569
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
N,3-dimethyl-5-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80630644
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 84656793) is 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is CNCc1cnc2oc(=O)[nH]c2c1.
What is the InChIKey of 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is UQNGKYDXURVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-9-3-5-2-6-7(10-4-5)13-8(12)11-6/h2,4,9H,3H2,1H3,(H,11,12).
What are the key properties of 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 84656793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).