3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C15H15N5O3 — CID 100650467

IUPAC3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)no1
InChIInChI=1S/C15H15N5O3/c1-10-7-12(19-23-10)15(21)20-6-2-3-11(9-20)22-14-13(8-16)17-4-5-18-14/h4-5,7,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyYCHLFUBIYQWYID-NSHDSACASA-N
MW313.32 g/mol
LogP1.33
Rot. Bonds3

About 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100650467) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100650467
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)no1
InChIInChI=1S/C15H15N5O3/c1-10-7-12(19-23-10)15(21)20-6-2-3-11(9-20)22-14-13(8-16)17-4-5-18-14/h4-5,7,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyYCHLFUBIYQWYID-NSHDSACASA-N
XLogP1.33
TPSA105.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627978
3-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628058
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990
3-[1-(6-ethoxypyridine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628047
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649641
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627966

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100650467) is 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is Cc1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)no1.
What is the InChIKey of 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is YCHLFUBIYQWYID-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O3/c1-10-7-12(19-23-10)15(21)20-6-2-3-11(9-20)22-14-13(8-16)17-4-5-18-14/h4-5,7,11H,2-3,6,9H2,1H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100650467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).