2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone

C25H36N4O2 — CID 95850470

IUPAC2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1
InChIInChI=1S/C25H36N4O2/c1-4-10-22-26-16-20(25-17(2)18(3)28-31-25)24(27-22)21-13-8-9-14-29(21)23(30)15-19-11-6-5-7-12-19/h16,19,21H,4-15H2,1-3H3/t21-/m0/s1
InChIKeyBJFJPVUWLLDKFS-NRFANRHFSA-N
MW424.59 g/mol
LogP5.72
Rot. Bonds6

About 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95850470) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95850470
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1
InChIInChI=1S/C25H36N4O2/c1-4-10-22-26-16-20(25-17(2)18(3)28-31-25)24(27-22)21-13-8-9-14-29(21)23(30)15-19-11-6-5-7-12-19/h16,19,21H,4-15H2,1-3H3/t21-/m0/s1
InChIKeyBJFJPVUWLLDKFS-NRFANRHFSA-N
XLogP5.72
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95850476
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92590457
1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
CID 171667099
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
2-cyclopentyl-1-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218512
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
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-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92596998

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95850470) is 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone is CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is BJFJPVUWLLDKFS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-4-10-22-26-16-20(25-17(2)18(3)28-31-25)24(27-22)21-13-8-9-14-29(21)23(30)15-19-11-6-5-7-12-19/h16,19,21H,4-15H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 424.59 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95850470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).