3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C17H17N5O2 — CID 46967270

IUPAC3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)on1
InChIInChI=1S/C17H17N5O2/c1-11-9-16(24-22-11)17(23)19-8-6-15-13(10-20-12(2)21-15)14-5-3-4-7-18-14/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,23)
InChIKeyNKSPHQAPBJNGNY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 46967270) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID46967270
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)on1
InChIInChI=1S/C17H17N5O2/c1-11-9-16(24-22-11)17(23)19-8-6-15-13(10-20-12(2)21-15)14-5-3-4-7-18-14/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,23)
InChIKeyNKSPHQAPBJNGNY-UHFFFAOYSA-N
XLogP2.12
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 46967270) is 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCc2nc(C)ncc2-c2ccccn2)on1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NKSPHQAPBJNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-9-16(24-22-11)17(23)19-8-6-15-13(10-20-12(2)21-15)14-5-3-4-7-18-14/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46967270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).