2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

C19H28N2O3 — CID 160601389

IUPAC2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C7H10O.2C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyREHZYVWMNZBISY-UHFFFAOYSA-N
MW332.44 g/mol
LogP6.00
Rot. Bonds3

About 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole

2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (PubChem CID 160601389) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
PubChem CID160601389
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C7H10O.2C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyREHZYVWMNZBISY-UHFFFAOYSA-N
XLogP6.00
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The IUPAC name of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole (CID 160601389) is 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is CC(C)c1ccco1.CC(C)c1ccno1.CC(C)c1ccon1.
What is the InChIKey of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
The InChIKey is REHZYVWMNZBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.2C6H9NO/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole?
2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole has a molecular weight of 332.44 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 160601389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).