2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole

C27H31NO3 — CID 54384331

IUPAC2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
SMILESCCCC=CCOc1ccc(-c2cnc(-c3ccc(OCC=CCCC)cc3)o2)cc1
InChIInChI=1S/C27H31NO3/c1-3-5-7-9-19-29-24-15-11-22(12-16-24)26-21-28-27(31-26)23-13-17-25(18-14-23)30-20-10-8-6-4-2/h7-18,21H,3-6,19-20H2,1-2H3
InChIKeyVCECFUYVVCKKIO-UHFFFAOYSA-N
MW417.55 g/mol
LogP7.48
Rot. Bonds12

About 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole

2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole (PubChem CID 54384331) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
PubChem CID54384331
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
SMILESCCCC=CCOc1ccc(-c2cnc(-c3ccc(OCC=CCCC)cc3)o2)cc1
InChIInChI=1S/C27H31NO3/c1-3-5-7-9-19-29-24-15-11-22(12-16-24)26-21-28-27(31-26)23-13-17-25(18-14-23)30-20-10-8-6-4-2/h7-18,21H,3-6,19-20H2,1-2H3
InChIKeyVCECFUYVVCKKIO-UHFFFAOYSA-N
XLogP7.48
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
4-(4-hex-2-enoxyphenyl)benzonitrile
CID 54202434
5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
CID 58428297
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-[4-[(E)-hex-2-enoxy]phenyl]-5-propyl-1,3,4-thiadiazole
CID 23432245
2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
CID 54517967
1-hex-2-enoxy-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 70371844
5-(4-ethoxyphenyl)-2-methyl-1,3-oxazole
CID 166610196
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
2,5-bis[4-[(E)-hept-2-enoxy]phenyl]-1,3-thiazole
CID 23432308
[4-(2-phenyl-1,3-oxazol-5-yl)phenyl] acetate
CID 71501498

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole?
The IUPAC name of 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole (CID 54384331) is 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole is CCCC=CCOc1ccc(-c2cnc(-c3ccc(OCC=CCCC)cc3)o2)cc1.
What is the InChIKey of 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole?
The InChIKey is VCECFUYVVCKKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-3-5-7-9-19-29-24-15-11-22(12-16-24)26-21-28-27(31-26)23-13-17-25(18-14-23)30-20-10-8-6-4-2/h7-18,21H,3-6,19-20H2,1-2H3.
What are the key properties of 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole?
2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole has a molecular weight of 417.55 g/mol, XLogP of 7.48, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 54384331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).