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

C16H32N2O2 — CID 142596823

IUPAC3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane
SMILESCC.CC.CC.Cc1conc1C.Cc1ncoc1C
InChIInChI=1S/2C5H7NO.3C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;3*1-2/h2*3H,1-2H3;3*1-2H3
InChIKeyLTAZNFXYSJZQTQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.66
Rot. Bonds

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

3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane (PubChem CID 142596823) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane
PubChem CID142596823
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane
SMILESCC.CC.CC.Cc1conc1C.Cc1ncoc1C
InChIInChI=1S/2C5H7NO.3C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;3*1-2/h2*3H,1-2H3;3*1-2H3
InChIKeyLTAZNFXYSJZQTQ-UHFFFAOYSA-N
XLogP5.66
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.66
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?
The IUPAC name of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane (CID 142596823) is 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane.
What is the SMILES notation for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane?
The canonical SMILES for 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane is CC.CC.CC.Cc1conc1C.Cc1ncoc1C.
What is the InChIKey of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane?
The InChIKey is LTAZNFXYSJZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.3C2H6/c1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;3*1-2/h2*3H,1-2H3;3*1-2H3.
What are the key properties of 3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane?
3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;ethane has a molecular weight of 284.44 g/mol, XLogP of 5.66, 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 is sourced from PubChem (CID 142596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).