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

C16H24N2O2 — CID 135280627

IUPAC2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole
SMILESCC(C)c1cc(C(C)CCc2coc(C(C)C)n2)on1
InChIInChI=1S/C16H24N2O2/c1-10(2)14-8-15(20-18-14)12(5)6-7-13-9-19-16(17-13)11(3)4/h8-12H,6-7H2,1-5H3
InChIKeyTWKKGWMJEXSOHX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.65
Rot. Bonds6

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

2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole (PubChem CID 135280627) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole
PubChem CID135280627
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole
SMILESCC(C)c1cc(C(C)CCc2coc(C(C)C)n2)on1
InChIInChI=1S/C16H24N2O2/c1-10(2)14-8-15(20-18-14)12(5)6-7-13-9-19-16(17-13)11(3)4/h8-12H,6-7H2,1-5H3
InChIKeyTWKKGWMJEXSOHX-UHFFFAOYSA-N
XLogP4.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole (CID 135280627) is 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole is CC(C)c1cc(C(C)CCc2coc(C(C)C)n2)on1.
What is the InChIKey of 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole?
The InChIKey is TWKKGWMJEXSOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)14-8-15(20-18-14)12(5)6-7-13-9-19-16(17-13)11(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole?
2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole has a molecular weight of 276.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[3-(3-propan-2-yl-1,2-oxazol-5-yl)butyl]-1,3-oxazole is sourced from PubChem (CID 135280627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).