4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole

C10H11NO — CID 89277460

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole
SMILESC=C/C=C\c1nc(C)oc1C=C
InChIInChI=1S/C10H11NO/c1-4-6-7-9-10(5-2)12-8(3)11-9/h4-7H,1-2H2,3H3/b7-6-
InChIKeyAIRWEUMJIDHMBT-SREVYHEPSA-N
MW161.20 g/mol
LogP2.83
Rot. Bonds3

About 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole

4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole (PubChem CID 89277460) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole
PubChem CID89277460
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole
SMILESC=C/C=C\c1nc(C)oc1C=C
InChIInChI=1S/C10H11NO/c1-4-6-7-9-10(5-2)12-8(3)11-9/h4-7H,1-2H2,3H3/b7-6-
InChIKeyAIRWEUMJIDHMBT-SREVYHEPSA-N
XLogP2.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole (CID 89277460) is 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole is C=C/C=C\c1nc(C)oc1C=C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole?
The InChIKey is AIRWEUMJIDHMBT-SREVYHEPSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-6-7-9-10(5-2)12-8(3)11-9/h4-7H,1-2H2,3H3/b7-6-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole?
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole has a molecular weight of 161.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 89277460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).