2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone

C18H25N5O2 — CID 71969228

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-11-12(2)19-15(5)20-18(11)23-8-6-22(7-9-23)17(24)10-16-13(3)21-25-14(16)4/h6-10H2,1-5H3
InChIKeyFLMIIROLYKEZSV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 71969228) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID71969228
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(C)c(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-11-12(2)19-15(5)20-18(11)23-8-6-22(7-9-23)17(24)10-16-13(3)21-25-14(16)4/h6-10H2,1-5H3
InChIKeyFLMIIROLYKEZSV-UHFFFAOYSA-N
XLogP1.90
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
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)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 71969228) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1nc(C)c(C)c(N2CCN(C(=O)Cc3c(C)noc3C)CC2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is FLMIIROLYKEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-12(2)19-15(5)20-18(11)23-8-6-22(7-9-23)17(24)10-16-13(3)21-25-14(16)4/h6-10H2,1-5H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 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)-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71969228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).