5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole

C24H31N7O — CID 95803023

IUPAC5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C24H31N7O/c1-16-13-17(2)27-24(26-16)31-11-7-19(8-12-31)22-20(21-14-18(3)29-32-21)15-25-23(28-22)30-9-5-4-6-10-30/h13-15,19H,4-12H2,1-3H3
InChIKeyDOXLXMNSQYAVBO-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.22
Rot. Bonds4

About 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole

5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole (PubChem CID 95803023) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
PubChem CID95803023
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3nc(C)cc(C)n3)CC2)on1
InChIInChI=1S/C24H31N7O/c1-16-13-17(2)27-24(26-16)31-11-7-19(8-12-31)22-20(21-14-18(3)29-32-21)15-25-23(28-22)30-9-5-4-6-10-30/h13-15,19H,4-12H2,1-3H3
InChIKeyDOXLXMNSQYAVBO-UHFFFAOYSA-N
XLogP4.22
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole (CID 95803023) is 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole is Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(c3nc(C)cc(C)n3)CC2)on1.
What is the InChIKey of 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
The InChIKey is DOXLXMNSQYAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-16-13-17(2)27-24(26-16)31-11-7-19(8-12-31)22-20(21-14-18(3)29-32-21)15-25-23(28-22)30-9-5-4-6-10-30/h13-15,19H,4-12H2,1-3H3.
What are the key properties of 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole?
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole has a molecular weight of 433.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95803023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).