2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C22H24N4O3 — CID 16670386

IUPAC2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3ncncc3-c3cc(C)no3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-20(29-25-15)19-12-23-14-24-22(19)17-4-3-9-26(13-17)21(27)11-16-5-7-18(28-2)8-6-16/h5-8,10,12,14,17H,3-4,9,11,13H2,1-2H3
InChIKeyQULIJOIRRCOLDJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 16670386) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID16670386
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(c3ncncc3-c3cc(C)no3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-10-20(29-25-15)19-12-23-14-24-22(19)17-4-3-9-26(13-17)21(27)11-16-5-7-18(28-2)8-6-16/h5-8,10,12,14,17H,3-4,9,11,13H2,1-2H3
InChIKeyQULIJOIRRCOLDJ-UHFFFAOYSA-N
XLogP3.40
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 16670386) is 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCCC(c3ncncc3-c3cc(C)no3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is QULIJOIRRCOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-10-20(29-25-15)19-12-23-14-24-22(19)17-4-3-9-26(13-17)21(27)11-16-5-7-18(28-2)8-6-16/h5-8,10,12,14,17H,3-4,9,11,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 16670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).