5-(4-hexoxyphenyl)-1,2-oxazole

C15H19NO2 — CID 166514076

IUPAC5-(4-hexoxyphenyl)-1,2-oxazole
SMILESCCCCCCOc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H19NO2/c1-2-3-4-5-12-17-14-8-6-13(7-9-14)15-10-11-16-18-15/h6-11H,2-5,12H2,1H3
InChIKeyGBIGNZPHSZDEIW-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.30
Rot. Bonds7

About 5-(4-hexoxyphenyl)-1,2-oxazole

5-(4-hexoxyphenyl)-1,2-oxazole (PubChem CID 166514076) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-hexoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-hexoxyphenyl)-1,2-oxazole
PubChem CID166514076
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(4-hexoxyphenyl)-1,2-oxazole
SMILESCCCCCCOc1ccc(-c2ccno2)cc1
InChIInChI=1S/C15H19NO2/c1-2-3-4-5-12-17-14-8-6-13(7-9-14)15-10-11-16-18-15/h6-11H,2-5,12H2,1H3
InChIKeyGBIGNZPHSZDEIW-UHFFFAOYSA-N
XLogP4.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(4-hexoxyphenyl)-1,2-oxazole (CID 166514076) is 5-(4-hexoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-hexoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(4-hexoxyphenyl)-1,2-oxazole is CCCCCCOc1ccc(-c2ccno2)cc1.
What is the InChIKey of 5-(4-hexoxyphenyl)-1,2-oxazole?
The InChIKey is GBIGNZPHSZDEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-4-5-12-17-14-8-6-13(7-9-14)15-10-11-16-18-15/h6-11H,2-5,12H2,1H3.
What are the key properties of 5-(4-hexoxyphenyl)-1,2-oxazole?
5-(4-hexoxyphenyl)-1,2-oxazole has a molecular weight of 245.32 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 166514076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).