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

C13H22N2O2 — CID 22924268

IUPAC2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCCC2=NC(C)(C)CO2)=N1
InChIInChI=1S/C13H22N2O2/c1-12(2)8-16-10(14-12)6-5-7-11-15-13(3,4)9-17-11/h5-9H2,1-4H3
InChIKeyZGQBEECCVBUKHE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.57
Rot. Bonds4

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

2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 22924268) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID22924268
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(CCCC2=NC(C)(C)CO2)=N1
InChIInChI=1S/C13H22N2O2/c1-12(2)8-16-10(14-12)6-5-7-11-15-13(3,4)9-17-11/h5-9H2,1-4H3
InChIKeyZGQBEECCVBUKHE-UHFFFAOYSA-N
XLogP2.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole (CID 22924268) is 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(CCCC2=NC(C)(C)CO2)=N1.
What is the InChIKey of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZGQBEECCVBUKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2)8-16-10(14-12)6-5-7-11-15-13(3,4)9-17-11/h5-9H2,1-4H3.
What are the key properties of 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 238.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 22924268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).