2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole

C12H20N2O2 — CID 586469

IUPAC2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCC2=NC(C)(C)CO2)=N1
InChIInChI=1S/C12H20N2O2/c1-11(2)7-15-9(13-11)5-6-10-14-12(3,4)8-16-10/h5-8H2,1-4H3
InChIKeyUFUAASKHUNQXBP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.18
Rot. Bonds3

About 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 586469) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID586469
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCC2=NC(C)(C)CO2)=N1
InChIInChI=1S/C12H20N2O2/c1-11(2)7-15-9(13-11)5-6-10-14-12(3,4)8-16-10/h5-8H2,1-4H3
InChIKeyUFUAASKHUNQXBP-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole (CID 586469) is 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(CCC2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is UFUAASKHUNQXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2)7-15-9(13-11)5-6-10-14-12(3,4)8-16-10/h5-8H2,1-4H3.
What are the key properties of 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 224.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 586469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).