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

C13H27NO — CID 143838762

IUPACethane;4-ethenyl-2,5-dimethyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C.CC.CC.CC
InChIInChI=1S/C7H9NO.3C2H6/c1-4-7-5(2)9-6(3)8-7;3*1-2/h4H,1H2,2-3H3;3*1-2H3
InChIKeyIIYBQHOXGAZUDK-UHFFFAOYSA-N
MW213.36 g/mol
LogP5.01
Rot. Bonds1

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

ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole (PubChem CID 143838762) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-ethenyl-2,5-dimethyl-1,3-oxazole
PubChem CID143838762
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nameethane;4-ethenyl-2,5-dimethyl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C.CC.CC.CC
InChIInChI=1S/C7H9NO.3C2H6/c1-4-7-5(2)9-6(3)8-7;3*1-2/h4H,1H2,2-3H3;3*1-2H3
InChIKeyIIYBQHOXGAZUDK-UHFFFAOYSA-N
XLogP5.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole?
The IUPAC name of ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole (CID 143838762) is ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole is C=Cc1nc(C)oc1C.CC.CC.CC.
What is the InChIKey of ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole?
The InChIKey is IIYBQHOXGAZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.3C2H6/c1-4-7-5(2)9-6(3)8-7;3*1-2/h4H,1H2,2-3H3;3*1-2H3.
What are the key properties of ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole?
ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole has a molecular weight of 213.36 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 143838762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).