(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C18H21N5O2 — CID 110118172

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCCC1c1cc(C)n2ccnc2n1
InChIInChI=1S/C18H21N5O2/c1-11-10-14(20-18-19-7-9-22(11)18)15-6-4-5-8-23(15)17(24)16-12(2)21-25-13(16)3/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyUZHXJLMYIDWSGT-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.01
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 110118172) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID110118172
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCCC1c1cc(C)n2ccnc2n1
InChIInChI=1S/C18H21N5O2/c1-11-10-14(20-18-19-7-9-22(11)18)15-6-4-5-8-23(15)17(24)16-12(2)21-25-13(16)3/h7,9-10,15H,4-6,8H2,1-3H3
InChIKeyUZHXJLMYIDWSGT-UHFFFAOYSA-N
XLogP3.01
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 110118172) is (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCCC1c1cc(C)n2ccnc2n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is UZHXJLMYIDWSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-10-14(20-18-19-7-9-22(11)18)15-6-4-5-8-23(15)17(24)16-12(2)21-25-13(16)3/h7,9-10,15H,4-6,8H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110118172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).