5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole

C24H27NO2 — CID 58428297

IUPAC5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
SMILESC=C(C)c1ccc(-c2ncc(-c3ccc(OCCCCCC)cc3)o2)cc1
InChIInChI=1S/C24H27NO2/c1-4-5-6-7-16-26-22-14-12-20(13-15-22)23-17-25-24(27-23)21-10-8-19(9-11-21)18(2)3/h8-15,17H,2,4-7,16H2,1,3H3
InChIKeyZLMGBWCURXRORK-UHFFFAOYSA-N
MW361.49 g/mol
LogP7.00
Rot. Bonds9

About 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole

5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole (PubChem CID 58428297) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
PubChem CID58428297
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
SMILESC=C(C)c1ccc(-c2ncc(-c3ccc(OCCCCCC)cc3)o2)cc1
InChIInChI=1S/C24H27NO2/c1-4-5-6-7-16-26-22-14-12-20(13-15-22)23-17-25-24(27-23)21-10-8-19(9-11-21)18(2)3/h8-15,17H,2,4-7,16H2,1,3H3
InChIKeyZLMGBWCURXRORK-UHFFFAOYSA-N
XLogP7.00
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
[4-[5-[4-(4-octoxybenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 4-octoxybenzoate
CID 102447911
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
CID 54384331
2-(4-hexoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4-oxadiazole
CID 50936800

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole (CID 58428297) is 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole is C=C(C)c1ccc(-c2ncc(-c3ccc(OCCCCCC)cc3)o2)cc1.
What is the InChIKey of 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole?
The InChIKey is ZLMGBWCURXRORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-4-5-6-7-16-26-22-14-12-20(13-15-22)23-17-25-24(27-23)21-10-8-19(9-11-21)18(2)3/h8-15,17H,2,4-7,16H2,1,3H3.
What are the key properties of 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole?
5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole has a molecular weight of 361.49 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 58428297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).