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

C16H18N4O3 — CID 169411230

IUPAC[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C16H18N4O3/c21-16(12-9-17-4-5-18-12)20-6-1-14-13(10-20)19-15(23-14)11-2-7-22-8-3-11/h4-5,9,11H,1-3,6-8,10H2
InChIKeyGPVHAXSJHJMJCX-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.56
Rot. Bonds2

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

[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone (PubChem CID 169411230) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
PubChem CID169411230
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2oc(C3CCOCC3)nc2C1
InChIInChI=1S/C16H18N4O3/c21-16(12-9-17-4-5-18-12)20-6-1-14-13(10-20)19-15(23-14)11-2-7-22-8-3-11/h4-5,9,11H,1-3,6-8,10H2
InChIKeyGPVHAXSJHJMJCX-UHFFFAOYSA-N
XLogP1.56
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(hydroxymethyl)-2-pyridinyl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170507140
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170507073
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[4-(oxolan-3-yl)phenyl]methanone
CID 170505748
(4-imidazol-1-ylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420793
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-phenylphenyl)methanone
CID 169411084
[5-(4-methylphenyl)furan-2-yl]-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169420219
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 170511702
(3-methylsulfonylphenyl)-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169418807
1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-4-pyrazol-1-ylbutan-1-one
CID 170504109
N-[2-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]methanesulfonamide
CID 170510030
2-(4-fluorophenyl)-2-hydroxy-1-[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 170507538
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170504825

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone (CID 169411230) is [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCc2oc(C3CCOCC3)nc2C1.
What is the InChIKey of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is GPVHAXSJHJMJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-16(12-9-17-4-5-18-12)20-6-1-14-13(10-20)19-15(23-14)11-2-7-22-8-3-11/h4-5,9,11H,1-3,6-8,10H2.
What are the key properties of [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone?
[2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 314.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 169411230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).