4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane

C18H31NO2 — CID 161413068

IUPAC4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane
SMILESC.Cc1cc(C(C)(C)C)co1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C9H14O.C8H13NO.CH4/c1-7-5-8(6-10-7)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4;/h5-6H,1-4H3;5H,1-4H3;1H4
InChIKeyVVSQJUJSWIUWGV-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.80
Rot. Bonds

About 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane

4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane (PubChem CID 161413068) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane.

Molecular Properties

Compound Name4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane
PubChem CID161413068
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane
SMILESC.Cc1cc(C(C)(C)C)co1.Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C9H14O.C8H13NO.CH4/c1-7-5-8(6-10-7)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4;/h5-6H,1-4H3;5H,1-4H3;1H4
InChIKeyVVSQJUJSWIUWGV-UHFFFAOYSA-N
XLogP5.80
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane?
The IUPAC name of 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane (CID 161413068) is 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane.
What is the SMILES notation for 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane?
The canonical SMILES for 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane is C.Cc1cc(C(C)(C)C)co1.Cc1cc(C(C)(C)C)on1.
What is the InChIKey of 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane?
The InChIKey is VVSQJUJSWIUWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C8H13NO.CH4/c1-7-5-8(6-10-7)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4;/h5-6H,1-4H3;5H,1-4H3;1H4.
What are the key properties of 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane?
4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane has a molecular weight of 293.45 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane is sourced from PubChem (CID 161413068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).