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

C18H28N4O2 — CID 159315557

IUPAC3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C6H10N2.2C6H9NO/c1-5(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/h3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLDBZTMFUKZJCCT-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.13
Rot. Bonds3

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

3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole (PubChem CID 159315557) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 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.

Molecular Properties

Compound Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole
PubChem CID159315557
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1
InChIInChI=1S/C6H10N2.2C6H9NO/c1-5(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/h3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
InChIKeyLDBZTMFUKZJCCT-UHFFFAOYSA-N
XLogP5.13
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-propan-2-yl-5-[2-[3-[2-(1H-pyrazol-5-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 155196281
3-ethyl-1,2-oxazole;1H-pyrazole
CID 157228565
3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole
CID 157960126
1-tert-butyl-2-methylidenepyrrolidine;4-tert-butylmorpholine;3-tert-butyl-1,2-oxazole;5-tert-butyl-1H-pyrazole
CID 159224835
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
3,4-di(propan-2-yl)-1,2-oxazole;bis(4,5-di(propan-2-yl)-1H-pyrazole)
CID 165064966
4-tert-butyloxane;4-tert-butyl-1,2-oxazole;3-tert-butyloxolane;5-tert-butyl-1H-pyrazole
CID 167651371
molecular hydrogen;3-propyl-1,2-oxazole;5-propyl-1H-pyrazole
CID 168241518

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?
The IUPAC name of 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole (CID 159315557) is 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole.
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?
The canonical SMILES for 3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole is 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?
The InChIKey is LDBZTMFUKZJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C6H9NO/c1-5(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/h3-5H,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-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole has a molecular weight of 332.45 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 159315557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).