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

C23H26N4O2 — CID 110218537

IUPAC1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCCCN2C(=O)Cc2ccccc2C)on1
InChIInChI=1S/C23H26N4O2/c1-15-8-4-5-9-18(15)13-22(28)27-11-7-6-10-20(27)23-19(14-24-17(3)25-23)21-12-16(2)26-29-21/h4-5,8-9,12,14,20H,6-7,10-11,13H2,1-3H3
InChIKeyNUFXPORULAQHSX-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.35
Rot. Bonds4

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

1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 110218537) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID110218537
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCCCN2C(=O)Cc2ccccc2C)on1
InChIInChI=1S/C23H26N4O2/c1-15-8-4-5-9-18(15)13-22(28)27-11-7-6-10-20(27)23-19(14-24-17(3)25-23)21-12-16(2)26-29-21/h4-5,8-9,12,14,20H,6-7,10-11,13H2,1-3H3
InChIKeyNUFXPORULAQHSX-UHFFFAOYSA-N
XLogP4.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-[(2S)-2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554412
2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110218458
[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110218535
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 110218525
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92554405
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554471
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554398
1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593671

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone (CID 110218537) is 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1cc(-c2cnc(C)nc2C2CCCCN2C(=O)Cc2ccccc2C)on1.
What is the InChIKey of 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is NUFXPORULAQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-8-4-5-9-18(15)13-22(28)27-11-7-6-10-20(27)23-19(14-24-17(3)25-23)21-12-16(2)26-29-21/h4-5,8-9,12,14,20H,6-7,10-11,13H2,1-3H3.
What are the key properties of 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 390.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 110218537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).