2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C24H35NO3 — CID 6446000

IUPAC2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC=CCCCCCCC/C(=C\c1cc(OC)cc(OC)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C24H35NO3/c1-6-7-8-9-10-11-12-13-20(23-25-24(2,3)18-28-23)14-19-15-21(26-4)17-22(16-19)27-5/h6,14-17H,1,7-13,18H2,2-5H3/b20-14+
InChIKeyOQSQRUGPCHVVKR-XSFVSMFZSA-N
MW385.55 g/mol
LogP6.21
Rot. Bonds12

About 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 6446000) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID6446000
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESC=CCCCCCCC/C(=C\c1cc(OC)cc(OC)c1)C1=NC(C)(C)CO1
InChIInChI=1S/C24H35NO3/c1-6-7-8-9-10-11-12-13-20(23-25-24(2,3)18-28-23)14-19-15-21(26-4)17-22(16-19)27-5/h6,14-17H,1,7-13,18H2,2-5H3/b20-14+
InChIKeyOQSQRUGPCHVVKR-XSFVSMFZSA-N
XLogP6.21
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 6446000) is 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole is C=CCCCCCCC/C(=C\c1cc(OC)cc(OC)c1)C1=NC(C)(C)CO1.
What is the InChIKey of 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OQSQRUGPCHVVKR-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H35NO3/c1-6-7-8-9-10-11-12-13-20(23-25-24(2,3)18-28-23)14-19-15-21(26-4)17-22(16-19)27-5/h6,14-17H,1,7-13,18H2,2-5H3/b20-14+.
What are the key properties of 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 385.55 g/mol, XLogP of 6.21, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-1-(3,5-dimethoxyphenyl)undeca-1,10-dien-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 6446000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).