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

C14H16N4O2 — CID 95845464

IUPAC[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-10-7-15-8-12(17-10)11-3-2-6-18(9-11)14(19)13-4-5-16-20-13/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeySUZMMKXTHIKXDB-NSHDSACASA-N
MW272.31 g/mol
LogP1.79
Rot. Bonds2

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

[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 95845464) 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]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID95845464
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cncc([C@H]2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-10-7-15-8-12(17-10)11-3-2-6-18(9-11)14(19)13-4-5-16-20-13/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeySUZMMKXTHIKXDB-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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Related Compounds

[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 125025117
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 95845464) is [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1cncc([C@H]2CCCN(C(=O)c3ccno3)C2)n1.
What is the InChIKey of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is SUZMMKXTHIKXDB-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-7-15-8-12(17-10)11-3-2-6-18(9-11)14(19)13-4-5-16-20-13/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-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]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 95845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).