[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C21H22N4O4 — CID 95823462

IUPAC[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2coc(C)n2)CC1
InChIInChI=1S/C21H22N4O4/c1-14-24-16(13-28-14)21(26)25-11-7-15(8-12-25)19-20(23-10-9-22-19)29-18-6-4-3-5-17(18)27-2/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyFLJDGMXCDGKTKT-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.59
Rot. Bonds5

About [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 95823462) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID95823462
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1Oc1nccnc1C1CCN(C(=O)c2coc(C)n2)CC1
InChIInChI=1S/C21H22N4O4/c1-14-24-16(13-28-14)21(26)25-11-7-15(8-12-25)19-20(23-10-9-22-19)29-18-6-4-3-5-17(18)27-2/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3
InChIKeyFLJDGMXCDGKTKT-UHFFFAOYSA-N
XLogP3.59
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95822950
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
(2-methyl-1,3-oxazol-4-yl)-[(3S)-3-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95844320
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95843926
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151938
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
[4-[6-[(4-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95810807
2-amino-1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823252
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 95823462) is [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2coc(C)n2)CC1.
What is the InChIKey of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is FLJDGMXCDGKTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-24-16(13-28-14)21(26)25-11-7-15(8-12-25)19-20(23-10-9-22-19)29-18-6-4-3-5-17(18)27-2/h3-6,9-10,13,15H,7-8,11-12H2,1-2H3.
What are the key properties of [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 394.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95823462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).