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

C25H30N4O3 — CID 92554353

IUPAC2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3ncc(-c4cc(C)no4)c(C(C)C)n3)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-16(2)24-21(22-13-17(3)28-32-22)15-26-25(27-24)19-9-11-29(12-10-19)23(30)14-18-5-7-20(31-4)8-6-18/h5-8,13,15-16,19H,9-12,14H2,1-4H3
InChIKeySZIJQGMKQWTYNT-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.52
Rot. Bonds6

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

2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 92554353) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID92554353
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3ncc(-c4cc(C)no4)c(C(C)C)n3)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-16(2)24-21(22-13-17(3)28-32-22)15-26-25(27-24)19-9-11-29(12-10-19)23(30)14-18-5-7-20(31-4)8-6-18/h5-8,13,15-16,19H,9-12,14H2,1-4H3
InChIKeySZIJQGMKQWTYNT-UHFFFAOYSA-N
XLogP4.52
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92554339
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 92554340
1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
butyl 4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 175805439
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
2-(4-fluorophenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670305
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 52509003
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53121854
2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 169284639
1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 46962225
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone (CID 92554353) is 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3ncc(-c4cc(C)no4)c(C(C)C)n3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is SZIJQGMKQWTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16(2)24-21(22-13-17(3)28-32-22)15-26-25(27-24)19-9-11-29(12-10-19)23(30)14-18-5-7-20(31-4)8-6-18/h5-8,13,15-16,19H,9-12,14H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 434.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92554353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).