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

C9H11NO — CID 122650926

IUPAC4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole
SMILESC=C/C=C\c1nc(C)oc1C
InChIInChI=1S/C9H11NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,1H2,2-3H3/b6-5-
InChIKeyLQZAPPYGONFIAQ-WAYWQWQTSA-N
MW149.19 g/mol
LogP2.49
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole (PubChem CID 122650926) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole
PubChem CID122650926
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole
SMILESC=C/C=C\c1nc(C)oc1C
InChIInChI=1S/C9H11NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,1H2,2-3H3/b6-5-
InChIKeyLQZAPPYGONFIAQ-WAYWQWQTSA-N
XLogP2.49
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 ≤ 52.49
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]-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole (CID 122650926) is 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole is C=C/C=C\c1nc(C)oc1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole?
The InChIKey is LQZAPPYGONFIAQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-5-6-9-7(2)11-8(3)10-9/h4-6H,1H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole?
4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.49, 2 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]-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 122650926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).