3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole

C20H23N5O — CID 46960398

IUPAC3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC(C)C3)nc2-c2cccnc2C)on1
InChIInChI=1S/C20H23N5O/c1-13-6-5-9-25(12-13)20-22-11-17(18-10-14(2)24-26-18)19(23-20)16-7-4-8-21-15(16)3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyKOBUWRJRFNMFHG-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.05
Rot. Bonds3

About 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole

3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole (PubChem CID 46960398) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole
PubChem CID46960398
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole
SMILESCc1cc(-c2cnc(N3CCCC(C)C3)nc2-c2cccnc2C)on1
InChIInChI=1S/C20H23N5O/c1-13-6-5-9-25(12-13)20-22-11-17(18-10-14(2)24-26-18)19(23-20)16-7-4-8-21-15(16)3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyKOBUWRJRFNMFHG-UHFFFAOYSA-N
XLogP4.05
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole (CID 46960398) is 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole is Cc1cc(-c2cnc(N3CCCC(C)C3)nc2-c2cccnc2C)on1.
What is the InChIKey of 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole?
The InChIKey is KOBUWRJRFNMFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-6-5-9-25(12-13)20-22-11-17(18-10-14(2)24-26-18)19(23-20)16-7-4-8-21-15(16)3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3.
What are the key properties of 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole?
3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole has a molecular weight of 349.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(3-methylpiperidin-1-yl)-4-(2-methyl-3-pyridinyl)pyrimidin-5-yl]-1,2-oxazole is sourced from PubChem (CID 46960398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).