3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole

C17H33N3O — CID 160870825

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole
SMILESC.C.Cc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9;;/h5H,1-4H3;4-6H,1-3H3;2*1H4
InChIKeySLSQCXRHGMBOJW-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.46
Rot. Bonds2

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole (PubChem CID 160870825) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole
PubChem CID160870825
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole
SMILESC.C.Cc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9;;/h5H,1-4H3;4-6H,1-3H3;2*1H4
InChIKeySLSQCXRHGMBOJW-UHFFFAOYSA-N
XLogP5.46
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole (CID 160870825) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole is C.C.Cc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is SLSQCXRHGMBOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H12N2.2CH4/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9;;/h5H,1-4H3;4-6H,1-3H3;2*1H4.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 295.47 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;methane;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 160870825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).