1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole

C15H14N2O — CID 134409654

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole
SMILESC=C/C=C\c1c(CC)nc2oc3ccccc3n12
InChIInChI=1S/C15H14N2O/c1-3-5-8-12-11(4-2)16-15-17(12)13-9-6-7-10-14(13)18-15/h3,5-10H,1,4H2,2H3/b8-5-
InChIKeyOMNSCRYYTPZALF-YVMONPNESA-N
MW238.29 g/mol
LogP3.84
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole

1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 134409654) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole
PubChem CID134409654
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole
SMILESC=C/C=C\c1c(CC)nc2oc3ccccc3n12
InChIInChI=1S/C15H14N2O/c1-3-5-8-12-11(4-2)16-15-17(12)13-9-6-7-10-14(13)18-15/h3,5-10H,1,4H2,2H3/b8-5-
InChIKeyOMNSCRYYTPZALF-YVMONPNESA-N
XLogP3.84
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole (CID 134409654) is 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole is C=C/C=C\c1c(CC)nc2oc3ccccc3n12.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole?
The InChIKey is OMNSCRYYTPZALF-YVMONPNESA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-5-8-12-11(4-2)16-15-17(12)13-9-6-7-10-14(13)18-15/h3,5-10H,1,4H2,2H3/b8-5-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole?
1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 238.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-ethylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 134409654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).