2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C14H17N5O2 — CID 110679859

IUPAC2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ncoc1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O2/c1-11-12(21-10-17-11)9-13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyWUSHJSABHOKUIW-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.66
Rot. Bonds3

About 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110679859) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID110679859
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ncoc1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H17N5O2/c1-11-12(21-10-17-11)9-13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3
InChIKeyWUSHJSABHOKUIW-UHFFFAOYSA-N
XLogP0.66
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 110679859) is 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1ncoc1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WUSHJSABHOKUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-11-12(21-10-17-11)9-13(20)18-5-7-19(8-6-18)14-15-3-2-4-16-14/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 287.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-oxazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110679859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).