2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane

C24H40N2O2 — CID 158279727

IUPAC2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
SMILESC.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H13N.C8H12O.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;/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3;1H4
InChIKeyGKBJLYHNRZWOQN-UHFFFAOYSA-N
MW388.60 g/mol
LogP7.23
Rot. Bonds

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

2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane (PubChem CID 158279727) has the molecular formula C24H40N2O2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane.

Molecular Properties

Compound Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
PubChem CID158279727
Molecular FormulaC24H40N2O2
Molecular Weight388.60 g/mol
Exact Mass388.31
IUPAC Name2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane
SMILESC.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1
InChIInChI=1S/C8H13N.C8H12O.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;/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3;1H4
InChIKeyGKBJLYHNRZWOQN-UHFFFAOYSA-N
XLogP7.23
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane with MolForge

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Launch Full Analysis

Related Compounds

5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole
CID 123145167
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-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-1,2-oxazole
CID 158262824
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
2-Propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole
CID 160601389
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole
CID 160998829
4-Tert-butyl-2-methylfuran;5-tert-butyl-3-methyl-1,2-oxazole;methane
CID 161413068

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane?
The IUPAC name of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane (CID 158279727) is 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane.
What is the SMILES notation for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane?
The canonical SMILES for 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane is C.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccco1.CC(C)(C)c1ccon1.
What is the InChIKey of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane?
The InChIKey is GKBJLYHNRZWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H12O.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;/h4,6H,5H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3;1H4.
What are the key properties of 2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane?
2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane has a molecular weight of 388.60 g/mol, XLogP of 7.23, 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-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;methane is sourced from PubChem (CID 158279727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).