[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C14H16N4O2 — CID 95846138

IUPAC[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-10-5-15-6-12(17-10)11-3-2-4-18(8-11)14(19)13-7-16-9-20-13/h5-7,9,11H,2-4,8H2,1H3/t11-/m0/s1
InChIKeyRCAZBOPXCVWPTC-NSHDSACASA-N
MW272.31 g/mol
LogP1.79
Rot. Bonds2

About [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 95846138) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID95846138
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-10-5-15-6-12(17-10)11-3-2-4-18(8-11)14(19)13-7-16-9-20-13/h5-7,9,11H,2-4,8H2,1H3/t11-/m0/s1
InChIKeyRCAZBOPXCVWPTC-NSHDSACASA-N
XLogP1.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 95846138) is [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is Cc1cncc([C@H]2CCCN(C(=O)c3cnco3)C2)n1.
What is the InChIKey of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is RCAZBOPXCVWPTC-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-5-15-6-12(17-10)11-3-2-4-18(8-11)14(19)13-7-16-9-20-13/h5-7,9,11H,2-4,8H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 95846138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).