1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

C21H24N4O2 — CID 72883616

IUPAC1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCc1ncnc(N2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)c1C
InChIInChI=1S/C21H24N4O2/c1-15-16(2)22-14-23-20(15)25-10-8-21(26,9-11-25)13-18-12-19(24-27-18)17-6-4-3-5-7-17/h3-7,12,14,26H,8-11,13H2,1-2H3
InChIKeyVQCROEXVKFEBQH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds4

About 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 72883616) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID72883616
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCc1ncnc(N2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)c1C
InChIInChI=1S/C21H24N4O2/c1-15-16(2)22-14-23-20(15)25-10-8-21(26,9-11-25)13-18-12-19(24-27-18)17-6-4-3-5-7-17/h3-7,12,14,26H,8-11,13H2,1-2H3
InChIKeyVQCROEXVKFEBQH-UHFFFAOYSA-N
XLogP3.32
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (CID 72883616) is 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is Cc1ncnc(N2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)c1C.
What is the InChIKey of 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is VQCROEXVKFEBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-16(2)22-14-23-20(15)25-10-8-21(26,9-11-25)13-18-12-19(24-27-18)17-6-4-3-5-7-17/h3-7,12,14,26H,8-11,13H2,1-2H3.
What are the key properties of 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 364.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 72883616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).