4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole

C15H26N2O2 — CID 22084894

IUPAC4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
SMILESCC1N=C(C(C)(C)C2=NC(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H26N2O2/c1-9-14(5,6)18-11(16-9)13(3,4)12-17-10(2)15(7,8)19-12/h9-10H,1-8H3
InChIKeyMYIHGSRGQRSGEK-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.20
Rot. Bonds2

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

4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole (PubChem CID 22084894) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole.

Molecular Properties

Compound Name4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
PubChem CID22084894
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole
SMILESCC1N=C(C(C)(C)C2=NC(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H26N2O2/c1-9-14(5,6)18-11(16-9)13(3,4)12-17-10(2)15(7,8)19-12/h9-10H,1-8H3
InChIKeyMYIHGSRGQRSGEK-UHFFFAOYSA-N
XLogP3.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The IUPAC name of 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole (CID 22084894) is 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole.
What is the SMILES notation for 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The canonical SMILES for 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole is CC1N=C(C(C)(C)C2=NC(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
The InChIKey is MYIHGSRGQRSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9-14(5,6)18-11(16-9)13(3,4)12-17-10(2)15(7,8)19-12/h9-10H,1-8H3.
What are the key properties of 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole?
4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole has a molecular weight of 266.38 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-2-[2-(4,5,5-trimethyl-4H-1,3-oxazol-2-yl)propan-2-yl]-4H-1,3-oxazole is sourced from PubChem (CID 22084894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).