ethane;3,5,5-trimethyl-4H-1,2-oxazole

C8H17NO — CID 143045754

IUPACethane;3,5,5-trimethyl-4H-1,2-oxazole
SMILESCC.CC1=NOC(C)(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-4-6(2,3)8-7-5;1-2/h4H2,1-3H3;1-2H3
InChIKeyXRERAJOKLJIVRL-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.59
Rot. Bonds

About ethane;3,5,5-trimethyl-4H-1,2-oxazole

ethane;3,5,5-trimethyl-4H-1,2-oxazole (PubChem CID 143045754) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;3,5,5-trimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Nameethane;3,5,5-trimethyl-4H-1,2-oxazole
PubChem CID143045754
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;3,5,5-trimethyl-4H-1,2-oxazole
SMILESCC.CC1=NOC(C)(C)C1
InChIInChI=1S/C6H11NO.C2H6/c1-5-4-6(2,3)8-7-5;1-2/h4H2,1-3H3;1-2H3
InChIKeyXRERAJOKLJIVRL-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3,5,5-trimethyl-4H-1,2-oxazole?
The IUPAC name of ethane;3,5,5-trimethyl-4H-1,2-oxazole (CID 143045754) is ethane;3,5,5-trimethyl-4H-1,2-oxazole.
What is the SMILES notation for ethane;3,5,5-trimethyl-4H-1,2-oxazole?
The canonical SMILES for ethane;3,5,5-trimethyl-4H-1,2-oxazole is CC.CC1=NOC(C)(C)C1.
What is the InChIKey of ethane;3,5,5-trimethyl-4H-1,2-oxazole?
The InChIKey is XRERAJOKLJIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-4-6(2,3)8-7-5;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;3,5,5-trimethyl-4H-1,2-oxazole?
ethane;3,5,5-trimethyl-4H-1,2-oxazole has a molecular weight of 143.23 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,5-trimethyl-4H-1,2-oxazole is sourced from PubChem (CID 143045754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).