4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane

C11H17NO — CID 144533937

IUPAC4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane
SMILESC=C(C)c1ncoc1C(=C)C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3
InChIKeyIAPGHGSMFAQCQF-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.77
Rot. Bonds2

About 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane

4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane (PubChem CID 144533937) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane.

Molecular Properties

Compound Name4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane
PubChem CID144533937
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane
SMILESC=C(C)c1ncoc1C(=C)C.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3
InChIKeyIAPGHGSMFAQCQF-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane?
The IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane (CID 144533937) is 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane.
What is the SMILES notation for 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane?
The canonical SMILES for 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane is C=C(C)c1ncoc1C(=C)C.CC.
What is the InChIKey of 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane?
The InChIKey is IAPGHGSMFAQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3.
What are the key properties of 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane?
4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane has a molecular weight of 179.26 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-en-2-yl)-1,3-oxazole;ethane is sourced from PubChem (CID 144533937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).