2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

C17H23N5O2 — CID 71795054

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-11-4-6-22(7-5-11)16-9-15(18-10-19-16)20-17(23)8-14-12(2)21-24-13(14)3/h9-11H,4-8H2,1-3H3,(H,18,19,20,23)
InChIKeyABNLBWMTUCQAAS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.50
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 71795054) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID71795054
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(N2CCC(C)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-11-4-6-22(7-5-11)16-9-15(18-10-19-16)20-17(23)8-14-12(2)21-24-13(14)3/h9-11H,4-8H2,1-3H3,(H,18,19,20,23)
InChIKeyABNLBWMTUCQAAS-UHFFFAOYSA-N
XLogP2.50
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (CID 71795054) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is Cc1noc(C)c1CC(=O)Nc1cc(N2CCC(C)CC2)ncn1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is ABNLBWMTUCQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-4-6-22(7-5-11)16-9-15(18-10-19-16)20-17(23)8-14-12(2)21-24-13(14)3/h9-11H,4-8H2,1-3H3,(H,18,19,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 71795054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).