4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one

C17H16N6O2 — CID 95803047

IUPAC4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one
SMILESCc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccncc2)on1
InChIInChI=1S/C17H16N6O2/c1-11-8-14(25-22-11)13-9-20-17(23-7-6-19-15(24)10-23)21-16(13)12-2-4-18-5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,24)
InChIKeyUYFDHZLLFDKLER-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.44
Rot. Bonds3

About 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one

4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one (PubChem CID 95803047) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one
PubChem CID95803047
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one
SMILESCc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccncc2)on1
InChIInChI=1S/C17H16N6O2/c1-11-8-14(25-22-11)13-9-20-17(23-7-6-19-15(24)10-23)21-16(13)12-2-4-18-5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,24)
InChIKeyUYFDHZLLFDKLER-UHFFFAOYSA-N
XLogP1.44
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one (CID 95803047) is 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one is Cc1cc(-c2cnc(N3CCNC(=O)C3)nc2-c2ccncc2)on1.
What is the InChIKey of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one?
The InChIKey is UYFDHZLLFDKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-8-14(25-22-11)13-9-20-17(23-7-6-19-15(24)10-23)21-16(13)12-2-4-18-5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H,19,24).
What are the key properties of 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one?
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one has a molecular weight of 336.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 95803047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).