4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole

C22H25NO5 — CID 58178328

IUPAC4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccc(-c2conc2-c2cc(OC)cc(OC)c2OC)cc1
InChIInChI=1S/C22H25NO5/c1-5-6-11-27-16-9-7-15(8-10-16)19-14-28-23-21(19)18-12-17(24-2)13-20(25-3)22(18)26-4/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyKZWRAZAKJCMAJX-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.21
Rot. Bonds9

About 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole

4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58178328) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58178328
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
SMILESCCCCOc1ccc(-c2conc2-c2cc(OC)cc(OC)c2OC)cc1
InChIInChI=1S/C22H25NO5/c1-5-6-11-27-16-9-7-15(8-10-16)19-14-28-23-21(19)18-12-17(24-2)13-20(25-3)22(18)26-4/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyKZWRAZAKJCMAJX-UHFFFAOYSA-N
XLogP5.21
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
4-(4-butoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430339
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
4-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178267
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
4-[5-methoxy-2-[4-(4-pentoxyphenyl)phenyl]phenoxy]butan-1-amine
CID 138570577
1-bromo-4-butoxy-2-methoxybenzene
CID 90315981
3-(4-butoxyphenyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 2054878
1-bromo-4-butoxy-6-methoxy-7-(4-methoxyphenyl)naphthalene
CID 121321443

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole (CID 58178328) is 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole is CCCCOc1ccc(-c2conc2-c2cc(OC)cc(OC)c2OC)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is KZWRAZAKJCMAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-5-6-11-27-16-9-7-15(8-10-16)19-14-28-23-21(19)18-12-17(24-2)13-20(25-3)22(18)26-4/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 383.44 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).