4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole

C11H15N3O — CID 135208073

IUPAC4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1nccc(CCC2=NC(C)CO2)n1
InChIInChI=1S/C11H15N3O/c1-8-7-15-11(13-8)4-3-10-5-6-12-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHYJKQUKLRGGWQP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds3

About 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135208073) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID135208073
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCc1nccc(CCC2=NC(C)CO2)n1
InChIInChI=1S/C11H15N3O/c1-8-7-15-11(13-8)4-3-10-5-6-12-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHYJKQUKLRGGWQP-UHFFFAOYSA-N
XLogP1.53
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole (CID 135208073) is 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole is Cc1nccc(CCC2=NC(C)CO2)n1.
What is the InChIKey of 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is HYJKQUKLRGGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-7-15-11(13-8)4-3-10-5-6-12-9(2)14-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 205.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylpyrimidin-4-yl)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135208073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).