2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine

C105H173N27O2 — CID 159002805

IUPAC2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1nnc(C(C)(C)C)n1.Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/2C9H13N.2C8H14N2.2C8H12N2.C8H12O.4C7H12N2.C7H11NO.2C6H12N4/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-9-10(4)8-5/h2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;2*1-4H3
InChIKeyJRNWUTPUOCGSFD-UHFFFAOYSA-N
MW1845.73 g/mol
LogP24.13
Rot. Bonds

About 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine

2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine (PubChem CID 159002805) has the molecular formula C105H173N27O2 and a molecular weight of 1845.73 g/mol. Its IUPAC name is 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine.

Molecular Properties

Compound Name2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
PubChem CID159002805
Molecular FormulaC105H173N27O2
Molecular Weight1845.73 g/mol
Exact Mass1844.43
IUPAC Name2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1nnc(C(C)(C)C)n1.Cn1nnc(C(C)(C)C)n1
InChIInChI=1S/2C9H13N.2C8H14N2.2C8H12N2.C8H12O.4C7H12N2.C7H11NO.2C6H12N4/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-9-10(4)8-5/h2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;2*1-4H3
InChIKeyJRNWUTPUOCGSFD-UHFFFAOYSA-N
XLogP24.13
TPSA354.07 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.73
LogP ≤ 524.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine?
The IUPAC name of 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine (CID 159002805) is 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine.
What is the SMILES notation for 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine?
The canonical SMILES for 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccno1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1nnc(C(C)(C)C)n1.Cn1nnc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine?
The InChIKey is JRNWUTPUOCGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.2C8H14N2.2C8H12N2.C8H12O.4C7H12N2.C7H11NO.2C6H12N4/c1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-4-5-8-9-6;2*1-6(2,3)5-7-9-10(4)8-5/h2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4*4-5H,1-3H3,(H,8,9);4-5H,1-3H3;2*1-4H3.
What are the key properties of 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine?
2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine has a molecular weight of 1845.73 g/mol, XLogP of 24.13, 0 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;bis(5-tert-butyl-1H-imidazole);4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methyltetrazole);5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(5-tert-butyl-1H-pyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyrimidine is sourced from PubChem (CID 159002805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).