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

C23H35NO3 — CID 160998829

IUPAC2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1
InChIInChI=1S/2C8H12O.C7H11NO/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
InChIKeyTVPDOQMCXKBZHR-UHFFFAOYSA-N
MW373.54 g/mol
LogP7.13
Rot. Bonds

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

2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole (PubChem CID 160998829) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole
PubChem CID160998829
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1
InChIInChI=1S/2C8H12O.C7H11NO/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
InChIKeyTVPDOQMCXKBZHR-UHFFFAOYSA-N
XLogP7.13
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 57.13
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?
The IUPAC name of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole (CID 160998829) is 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole?
The canonical SMILES for 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole is 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?
The InChIKey is TVPDOQMCXKBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O.C7H11NO/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.
What are the key properties of 2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole?
2-tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole has a molecular weight of 373.54 g/mol, XLogP of 7.13, 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 is sourced from PubChem (CID 160998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).