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

C12H25NO — CID 158361077

IUPAC4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane
SMILESC.CC.CC(C)c1cnoc1C(C)C
InChIInChI=1S/C9H15NO.C2H6.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H4
InChIKeyGTMAYGJKYVFKKZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP4.58
Rot. Bonds2

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

4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane (PubChem CID 158361077) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane
PubChem CID158361077
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane
SMILESC.CC.CC(C)c1cnoc1C(C)C
InChIInChI=1S/C9H15NO.C2H6.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H4
InChIKeyGTMAYGJKYVFKKZ-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane?
The IUPAC name of 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane (CID 158361077) is 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane?
The canonical SMILES for 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane is C.CC.CC(C)c1cnoc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane?
The InChIKey is GTMAYGJKYVFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-2;/h5-7H,1-4H3;1-2H3;1H4.
What are the key properties of 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane?
4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane has a molecular weight of 199.34 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,2-oxazole;ethane;methane is sourced from PubChem (CID 158361077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).