ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole

C11H17NO — CID 172571272

IUPACethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C(=C)C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-5-8-9(6(2)3)11-7(4)10-8;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyTYMPAHLQJGZHJD-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.69
Rot. Bonds2

About ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole

ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole (PubChem CID 172571272) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole
PubChem CID172571272
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole
SMILESC=Cc1nc(C)oc1C(=C)C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-5-8-9(6(2)3)11-7(4)10-8;1-2/h5H,1-2H2,3-4H3;1-2H3
InChIKeyTYMPAHLQJGZHJD-UHFFFAOYSA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.69
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-methyl-5-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole (CID 172571272) is ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole is C=Cc1nc(C)oc1C(=C)C.CC.
What is the InChIKey of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is TYMPAHLQJGZHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-5-8-9(6(2)3)11-7(4)10-8;1-2/h5H,1-2H2,3-4H3;1-2H3.
What are the key properties of ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole?
ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methyl-5-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 172571272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).