1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone

C13H14N4O2 — CID 95846151

IUPAC1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C13H14N4O2/c18-13(12-7-15-9-19-12)17-5-1-2-10(8-17)11-6-14-3-4-16-11/h3-4,6-7,9-10H,1-2,5,8H2/t10-/m1/s1
InChIKeyRNQQFNUBZMJWOA-SNVBAGLBSA-N
MW258.28 g/mol
LogP1.48
Rot. Bonds2

About 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone

1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone (PubChem CID 95846151) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
PubChem CID95846151
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C13H14N4O2/c18-13(12-7-15-9-19-12)17-5-1-2-10(8-17)11-6-14-3-4-16-11/h3-4,6-7,9-10H,1-2,5,8H2/t10-/m1/s1
InChIKeyRNQQFNUBZMJWOA-SNVBAGLBSA-N
XLogP1.48
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone (CID 95846151) is 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone is O=C(c1cnco1)N1CCC[C@@H](c2cnccn2)C1.
What is the InChIKey of 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
The InChIKey is RNQQFNUBZMJWOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(12-7-15-9-19-12)17-5-1-2-10(8-17)11-6-14-3-4-16-11/h3-4,6-7,9-10H,1-2,5,8H2/t10-/m1/s1.
What are the key properties of 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone?
1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone has a molecular weight of 258.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-yl-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).