[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C14H17N5O2 — CID 95824800

IUPAC[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cncc(C2CCN(C(=O)c3cnco3)CC2)n1
InChIInChI=1S/C14H17N5O2/c1-15-13-8-16-6-11(18-13)10-2-4-19(5-3-10)14(20)12-7-17-9-21-12/h6-10H,2-5H2,1H3,(H,15,18)
InChIKeyYNJFMFATMIAUQF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.53
Rot. Bonds3

About [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 95824800) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID95824800
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cncc(C2CCN(C(=O)c3cnco3)CC2)n1
InChIInChI=1S/C14H17N5O2/c1-15-13-8-16-6-11(18-13)10-2-4-19(5-3-10)14(20)12-7-17-9-21-12/h6-10H,2-5H2,1H3,(H,15,18)
InChIKeyYNJFMFATMIAUQF-UHFFFAOYSA-N
XLogP1.53
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 95824800) is [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is CNc1cncc(C2CCN(C(=O)c3cnco3)CC2)n1.
What is the InChIKey of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is YNJFMFATMIAUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-15-13-8-16-6-11(18-13)10-2-4-19(5-3-10)14(20)12-7-17-9-21-12/h6-10H,2-5H2,1H3,(H,15,18).
What are the key properties of [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 95824800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).