2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole

C22H34N2O3 — CID 158262824

IUPAC2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1
InChIInChI=1S/C8H12O.2C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyGIBSXNNMNUANQK-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.52
Rot. Bonds

About 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole

2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole (PubChem CID 158262824) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
PubChem CID158262824
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole
SMILESCC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1
InChIInChI=1S/C8H12O.2C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyGIBSXNNMNUANQK-UHFFFAOYSA-N
XLogP6.52
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan
CID 157490743
5-Ethyl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propylfuran
CID 91201109
2-Propan-2-ylfuran;5-propan-2-yl-1,2-oxazole
CID 153583016
2-Tert-butylfuran;3-tert-butyl-1,2-oxazole
CID 157469679
2-Methyl-5-propan-2-ylfuran;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran
CID 157618525
2-Methyl-3-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine
CID 157805893
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole
CID 158231391
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
CID 158279727
3-Tert-butylfuran;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole
CID 158785018
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;methane
CID 158808716
3-tert-butylfuran;5-tert-butyl-1,2-oxazole;5-tert-butyl-2H-pyrrole;methane
CID 159044080
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole
CID 159358183

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole?
The IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole (CID 158262824) is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole?
The canonical SMILES for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole is CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.CC(C)(C)c1cnoc1.
What is the InChIKey of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole?
The InChIKey is GIBSXNNMNUANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.2C7H11NO/c1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-9-8-6/h4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole?
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole has a molecular weight of 374.53 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole is sourced from PubChem (CID 158262824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).