3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane

C15H28N2O2 — CID 142385924

IUPAC3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane
SMILESCC.CCC.Cc1conc1C.Cc1ncoc1C
InChIInChI=1S/2C5H7NO.C3H8.C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-3-2;1-2/h2*3H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDOOIVUWFRFDSII-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.03
Rot. Bonds

About 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane

3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane (PubChem CID 142385924) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane.

Molecular Properties

Compound Name3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane
PubChem CID142385924
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane
SMILESCC.CCC.Cc1conc1C.Cc1ncoc1C
InChIInChI=1S/2C5H7NO.C3H8.C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-3-2;1-2/h2*3H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyDOOIVUWFRFDSII-UHFFFAOYSA-N
XLogP5.03
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane?
The IUPAC name of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane (CID 142385924) is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane.
What is the SMILES notation for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane?
The canonical SMILES for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane is CC.CCC.Cc1conc1C.Cc1ncoc1C.
What is the InChIKey of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane?
The InChIKey is DOOIVUWFRFDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C3H8.C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-3-2;1-2/h2*3H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane?
3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane has a molecular weight of 268.40 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane;propane is sourced from PubChem (CID 142385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).