3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

C42H80N4O4 — CID 157311213

IUPAC3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESC.C.C.C.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.2C9H15NO.4CH4/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;;;;/h2*6-7H,1-5H3;2*5-7H,1-4H3;4*1H4
InChIKeyBDBGBPDWARSSNO-UHFFFAOYSA-N
MW705.13 g/mol
LogP14.85
Rot. Bonds8

About 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole

3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 157311213) has the molecular formula C42H80N4O4 and a molecular weight of 705.13 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID157311213
Molecular FormulaC42H80N4O4
Molecular Weight705.13 g/mol
Exact Mass704.62
IUPAC Name3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESC.C.C.C.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.2C9H15NO.4CH4/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;;;;/h2*6-7H,1-5H3;2*5-7H,1-4H3;4*1H4
InChIKeyBDBGBPDWARSSNO-UHFFFAOYSA-N
XLogP14.85
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.13
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 157311213) is 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is C.C.C.C.CC(C)c1cnoc1C(C)C.CC(C)c1conc1C(C)C.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is BDBGBPDWARSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO.2C9H15NO.4CH4/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-5-11-10-9(8)7(3)4;1-6(2)8-5-10-11-9(8)7(3)4;;;;/h2*6-7H,1-5H3;2*5-7H,1-4H3;4*1H4.
What are the key properties of 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 705.13 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,2-oxazole;methane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 157311213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).