3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)

C27H47N5O — CID 165064966

IUPAC3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)
SMILESCC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1conc1C(C)C
InChIInChI=1S/2C9H16N2.C9H15NO/c2*1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h2*5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyRUTBXCLNTQMDGL-UHFFFAOYSA-N
MW457.71 g/mol
LogP8.23
Rot. Bonds6

About 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)

3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) (PubChem CID 165064966) has the molecular formula C27H47N5O and a molecular weight of 457.71 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole).

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)
PubChem CID165064966
Molecular FormulaC27H47N5O
Molecular Weight457.71 g/mol
Exact Mass457.38
IUPAC Name3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)
SMILESCC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1conc1C(C)C
InChIInChI=1S/2C9H16N2.C9H15NO/c2*1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h2*5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyRUTBXCLNTQMDGL-UHFFFAOYSA-N
XLogP8.23
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.71
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) with MolForge

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Related Compounds

3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole
CID 157960126
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole
CID 159315557
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine
CID 159458187
3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1H-pyrazole
CID 160483397
4-tert-butyloxane;4-tert-butyl-1,2-oxazole;3-tert-butyloxolane;5-tert-butyl-1H-pyrazole
CID 167651371
5-[(3-methyl-1,2-oxazol-4-yl)methyl]-1H-pyrazole-4-carbaldehyde
CID 96624767

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)?
The IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) (CID 165064966) is 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole).
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) is CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1conc1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)?
The InChIKey is RUTBXCLNTQMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2.C9H15NO/c2*1-6(2)8-5-10-11-9(8)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4/h2*5-7H,1-4H3,(H,10,11);5-7H,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)?
3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) has a molecular weight of 457.71 g/mol, XLogP of 8.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole) is sourced from PubChem (CID 165064966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).