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

C10H13NO — CID 88993614

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole
SMILESC=C/C=C\c1oc(C)nc1CC
InChIInChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4,6-7H,1,5H2,2-3H3/b7-6-
InChIKeyYOTPCVVHUSNKRA-SREVYHEPSA-N
MW163.22 g/mol
LogP2.74
Rot. Bonds3

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

5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole (PubChem CID 88993614) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole
PubChem CID88993614
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole
SMILESC=C/C=C\c1oc(C)nc1CC
InChIInChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4,6-7H,1,5H2,2-3H3/b7-6-
InChIKeyYOTPCVVHUSNKRA-SREVYHEPSA-N
XLogP2.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.74
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 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole (CID 88993614) is 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole is C=C/C=C\c1oc(C)nc1CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole?
The InChIKey is YOTPCVVHUSNKRA-SREVYHEPSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4,6-7H,1,5H2,2-3H3/b7-6-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole?
5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole has a molecular weight of 163.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 88993614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).