4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole

C15H26N2O2 — CID 495275

IUPAC4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C
InChIInChI=1S/C15H26N2O2/c1-9(2)11-7-18-13(16-11)15(5,6)14-17-12(8-19-14)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyXFZUPCITFHSROM-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.20
Rot. Bonds4

About 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole

4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole (PubChem CID 495275) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
PubChem CID495275
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C
InChIInChI=1S/C15H26N2O2/c1-9(2)11-7-18-13(16-11)15(5,6)14-17-12(8-19-14)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyXFZUPCITFHSROM-UHFFFAOYSA-N
XLogP3.20
TPSA43.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity361

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-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole?
The IUPAC name of 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole (CID 495275) is 4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole?
The canonical SMILES for 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole is CC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C.
What is the InChIKey of 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole?
The InChIKey is XFZUPCITFHSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9(2)11-7-18-13(16-11)15(5,6)14-17-12(8-19-14)10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole?
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole has a molecular weight of 266.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole is sourced from PubChem (CID 495275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).