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

C33H63N3O3 — CID 158154447

IUPACbis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane
SMILESCC.CC.CC.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.CC(C)c1conc1C(C)C
InChIInChI=1S/3C9H15NO.3C2H6/c2*1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;3*1-2/h3*5-7H,1-4H3;3*1-2H3
InChIKeyFVMUUKYOJQAXOE-UHFFFAOYSA-N
MW549.89 g/mol
LogP11.84
Rot. Bonds6

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

bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane (PubChem CID 158154447) has the molecular formula C33H63N3O3 and a molecular weight of 549.89 g/mol. Its IUPAC name is bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane.

Molecular Properties

Compound Namebis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane
PubChem CID158154447
Molecular FormulaC33H63N3O3
Molecular Weight549.89 g/mol
Exact Mass549.49
IUPAC Namebis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane
SMILESCC.CC.CC.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.CC(C)c1conc1C(C)C
InChIInChI=1S/3C9H15NO.3C2H6/c2*1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;3*1-2/h3*5-7H,1-4H3;3*1-2H3
InChIKeyFVMUUKYOJQAXOE-UHFFFAOYSA-N
XLogP11.84
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.89
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane?
The IUPAC name of bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane (CID 158154447) is bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane.
What is the SMILES notation for bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane?
The canonical SMILES for bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane is CC.CC.CC.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.CC(C)c1conc1C(C)C.
What is the InChIKey of bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane?
The InChIKey is FVMUUKYOJQAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15NO.3C2H6/c2*1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;3*1-2/h3*5-7H,1-4H3;3*1-2H3.
What are the key properties of bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane?
bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane has a molecular weight of 549.89 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-di(propan-2-yl)-1,2-oxazole);4,5-di(propan-2-yl)-1,2-oxazole;ethane is sourced from PubChem (CID 158154447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).