2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane

C24H39NO3 — CID 158808716

IUPAC2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane
SMILESC.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1
InChIInChI=1S/2C8H12O.C7H11NO.CH4/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;/h2*4-6H,1-3H3;4-5H,1-3H3;1H4
InChIKeyIUKFFNXBOXHPOH-UHFFFAOYSA-N
MW389.58 g/mol
LogP7.76
Rot. Bonds

About 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane

2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane (PubChem CID 158808716) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane
PubChem CID158808716
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane
SMILESC.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1
InChIInChI=1S/2C8H12O.C7H11NO.CH4/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;/h2*4-6H,1-3H3;4-5H,1-3H3;1H4
InChIKeyIUKFFNXBOXHPOH-UHFFFAOYSA-N
XLogP7.76
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane?
The IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane (CID 158808716) is 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane?
The canonical SMILES for 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane is C.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.
What is the InChIKey of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane?
The InChIKey is IUKFFNXBOXHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O.C7H11NO.CH4/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;/h2*4-6H,1-3H3;4-5H,1-3H3;1H4.
What are the key properties of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane?
2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane has a molecular weight of 389.58 g/mol, XLogP of 7.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane is sourced from PubChem (CID 158808716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).