3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole

C14H19N5O — CID 3233307

IUPAC3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H19N5O/c1-10-13(11(2)20-17-10)14-15-5-4-12(16-14)19-8-6-18(3)7-9-19/h4-5H,6-9H2,1-3H3
InChIKeyLKKFDSHAYCHDHK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.50
Rot. Bonds2

About 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole (PubChem CID 3233307) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
PubChem CID3233307
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H19N5O/c1-10-13(11(2)20-17-10)14-15-5-4-12(16-14)19-8-6-18(3)7-9-19/h4-5H,6-9H2,1-3H3
InChIKeyLKKFDSHAYCHDHK-UHFFFAOYSA-N
XLogP1.50
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole (CID 3233307) is 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole is Cc1noc(C)c1-c1nccc(N2CCN(C)CC2)n1.
What is the InChIKey of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole?
The InChIKey is LKKFDSHAYCHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-13(11(2)20-17-10)14-15-5-4-12(16-14)19-8-6-18(3)7-9-19/h4-5H,6-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole has a molecular weight of 273.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 3233307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).