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

C20H20N4O3 — CID 110256498

IUPAC[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-14-5-2-3-7-17(14)26-19-12-21-11-16(23-19)15-6-4-10-24(13-15)20(25)18-8-9-22-27-18/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3
InChIKeyWRQWIZBONLAQFF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.59
Rot. Bonds4

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

[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 110256498) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID110256498
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-14-5-2-3-7-17(14)26-19-12-21-11-16(23-19)15-6-4-10-24(13-15)20(25)18-8-9-22-27-18/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3
InChIKeyWRQWIZBONLAQFF-UHFFFAOYSA-N
XLogP3.59
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 132767401
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[(3R)-3-[6-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823449

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 110256498) is [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccno3)C2)n1.
What is the InChIKey of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is WRQWIZBONLAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-5-2-3-7-17(14)26-19-12-21-11-16(23-19)15-6-4-10-24(13-15)20(25)18-8-9-22-27-18/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3.
What are the key properties of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 364.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110256498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).