3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine

C25H43N5O2 — CID 159458187

IUPAC3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCNC1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C7H15N.C6H10N2.2C6H9NO/c1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h6-8H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLUGBZNJRXWWRTI-UHFFFAOYSA-N
MW445.65 g/mol
LogP6.38
Rot. Bonds4

About 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine

3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine (PubChem CID 159458187) has the molecular formula C25H43N5O2 and a molecular weight of 445.65 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine
PubChem CID159458187
Molecular FormulaC25H43N5O2
Molecular Weight445.65 g/mol
Exact Mass445.34
IUPAC Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCNC1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C7H15N.C6H10N2.2C6H9NO/c1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h6-8H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLUGBZNJRXWWRTI-UHFFFAOYSA-N
XLogP6.38
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;N,2-dimethylpropan-1-amine;ethane
CID 157108310
1-cyclopropyl-3-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
CID 157213949
3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole
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1-tert-butyl-2-methylidenepyrrolidine;4-tert-butylmorpholine;3-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole
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CID 159315557
3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1H-pyrazole
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5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole;1-ethyl-2-propan-2-ylpyrrolidine;3-methyl-1,4-di(propan-2-yl)pyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1-propylpyrazole;1-methyl-2-propan-2-ylpyrrolidine;5-propan-2-yl-4,5-dihydro-1,2-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole
CID 162220664
3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-2H-pyrrole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-2H-pyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 164989833
3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)
CID 165064966

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine?
The IUPAC name of 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) is 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine?
The canonical SMILES for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine is CC(C)C1CCNC1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.
What is the InChIKey of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine?
The InChIKey is LUGBZNJRXWWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H10N2.2C6H9NO/c1-6(2)7-3-4-8-5-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6/h6-8H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.
What are the key properties of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine?
3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine has a molecular weight of 445.65 g/mol, XLogP of 6.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyrrolidine is sourced from PubChem (CID 159458187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).