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

C7H13NO — CID 91019230

IUPAC2,4-dimethyl-1,3-oxazole;ethane
SMILESCC.Cc1coc(C)n1
InChIInChI=1S/C5H7NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3H,1-2H3;1-2H3
InChIKeyCYPHNIHXAITTMW-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.32
Rot. Bonds

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

2,4-dimethyl-1,3-oxazole;ethane (PubChem CID 91019230) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazole;ethane
PubChem CID91019230
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,4-dimethyl-1,3-oxazole;ethane
SMILESCC.Cc1coc(C)n1
InChIInChI=1S/C5H7NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3H,1-2H3;1-2H3
InChIKeyCYPHNIHXAITTMW-UHFFFAOYSA-N
XLogP2.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole;ethane?
The IUPAC name of 2,4-dimethyl-1,3-oxazole;ethane (CID 91019230) is 2,4-dimethyl-1,3-oxazole;ethane.
What is the SMILES notation for 2,4-dimethyl-1,3-oxazole;ethane?
The canonical SMILES for 2,4-dimethyl-1,3-oxazole;ethane is CC.Cc1coc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-oxazole;ethane?
The InChIKey is CYPHNIHXAITTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C2H6/c1-4-3-7-5(2)6-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1,3-oxazole;ethane?
2,4-dimethyl-1,3-oxazole;ethane has a molecular weight of 127.19 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazole;ethane is sourced from PubChem (CID 91019230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).