(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone

C12H12N4O2 — CID 115273392

IUPAC(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
SMILESNc1nc2c(o1)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C12H12N4O2/c13-12-15-9-7-16(6-4-10(9)18-12)11(17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H2,13,15)
InChIKeyOVEJVGSKCLUOSY-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.85
Rot. Bonds1

About (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone

(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone (PubChem CID 115273392) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
PubChem CID115273392
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
SMILESNc1nc2c(o1)CCN(C(=O)c1ccccn1)C2
InChIInChI=1S/C12H12N4O2/c13-12-15-9-7-16(6-4-10(9)18-12)11(17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H2,13,15)
InChIKeyOVEJVGSKCLUOSY-UHFFFAOYSA-N
XLogP0.85
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone with MolForge

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Related Compounds

(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-2-ylmethanone
CID 114523309
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone
CID 115267997
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
(6-amino-2-pyridinyl)-[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170508314
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
CID 169410942
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 169417212
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
CID 154752021
[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyridazin-3-ylmethanone
CID 169414930
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)-(5-bromo-2-methylphenyl)methanone
CID 115273348
[4-(hydroxymethyl)-2-pyridinyl]-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170506103

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone?
The IUPAC name of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone (CID 115273392) is (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone is Nc1nc2c(o1)CCN(C(=O)c1ccccn1)C2.
What is the InChIKey of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone?
The InChIKey is OVEJVGSKCLUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-12-15-9-7-16(6-4-10(9)18-12)11(17)8-3-1-2-5-14-8/h1-3,5H,4,6-7H2,(H2,13,15).
What are the key properties of (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone?
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone has a molecular weight of 244.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 115273392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).