5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole

C9H11NO — CID 129019122

IUPAC5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole
SMILESC=Cc1ncoc1/C(C)=C\C
InChIInChI=1S/C9H11NO/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,2H2,1,3H3/b7-4-
InChIKeyZOXBPOQSEITLAV-DAXSKMNVSA-N
MW149.19 g/mol
LogP2.74
Rot. Bonds2

About 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole

5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole (PubChem CID 129019122) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole
PubChem CID129019122
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole
SMILESC=Cc1ncoc1/C(C)=C\C
InChIInChI=1S/C9H11NO/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,2H2,1,3H3/b7-4-
InChIKeyZOXBPOQSEITLAV-DAXSKMNVSA-N
XLogP2.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole (CID 129019122) is 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole is C=Cc1ncoc1/C(C)=C\C.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole?
The InChIKey is ZOXBPOQSEITLAV-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,2H2,1,3H3/b7-4-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole?
5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-4-ethenyl-1,3-oxazole is sourced from PubChem (CID 129019122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).