2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)

C60H101N5O2 — CID 158289466

IUPAC2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1
InChIInChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3
InChIKeyGLEIOLYLIRJFKT-UHFFFAOYSA-N
MW924.50 g/mol
LogP17.50
Rot. Bonds

About 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)

2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) (PubChem CID 158289466) has the molecular formula C60H101N5O2 and a molecular weight of 924.50 g/mol. Its IUPAC name is 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine).

Molecular Properties

Compound Name2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
PubChem CID158289466
Molecular FormulaC60H101N5O2
Molecular Weight924.50 g/mol
Exact Mass923.80
IUPAC Name2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1
InChIInChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3
InChIKeyGLEIOLYLIRJFKT-UHFFFAOYSA-N
XLogP17.50
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.50
LogP ≤ 517.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-(3-{1-[(5-methyl-3-isoxazolyl)methyl]-1H-pyrazol-3-yl}phenyl)furo[3,2-c]pyridine
CID 28391274
5-Tert-butyl-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1,2-oxazole
CID 91458183
5-(2-ethoxy-3-pyridinyl)-N-[1-[5-(fluoromethyl)-1,2-oxazol-3-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 166789957
5-(2-ethoxy-3-pyridinyl)-N-[1-[3-(fluoromethyl)-1,2-oxazol-5-yl]-2-methylpropan-2-yl]-3-methyl-2H-pyrazolo[4,3-b]pyridin-7-amine
CID 166789964
4-[3-(3-fluorophenyl)-4-(furan-2-yl)-1H-pyrazol-5-yl]pyridine
CID 174480058
4-[3-(3-fluorophenyl)-4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine
CID 174493209
2-(4-fluorophenyl)-4-[4-(5-methylfuran-2-yl)-1H-pyrazol-5-yl]pyridine
CID 174493210
[4-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 136263305
3-methyl-5-[5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137028995
3-methyl-5-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137028996
3-[3-[[6-[(1-Methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682666
2,5-di(propan-2-yl)furan;3,5-di(propan-2-yl)-1,2-oxazole;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;1-methyl-2,4-di(propan-2-yl)pyrrole
CID 157208151

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The IUPAC name of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) (CID 158289466) is 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine).
What is the SMILES notation for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The canonical SMILES for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) is CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)o1.
What is the InChIKey of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
The InChIKey is GLEIOLYLIRJFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N.C12H20O.C11H20N2.C11H19NO/c2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);7H,1-6H3.
What are the key properties of 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine)?
2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) has a molecular weight of 924.50 g/mol, XLogP of 17.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylfuran;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-pyrazole;bis(2,5-ditert-butylpyridine) is sourced from PubChem (CID 158289466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).