2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol

C21H22N2O4 — CID 5006371

IUPAC2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/c3ccc(OC)cc3)c(O)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-3-4-13-26-18-9-5-15(6-10-18)20-23-19(21(24)27-20)14-22-16-7-11-17(25-2)12-8-16/h5-12,14,24H,3-4,13H2,1-2H3/b22-14+
InChIKeyVMUKPQHROYJXPJ-HYARGMPZSA-N
MW366.42 g/mol
LogP4.99
Rot. Bonds8

About 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol

2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol (PubChem CID 5006371) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
PubChem CID5006371
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
SMILESCCCCOc1ccc(-c2nc(/C=N/c3ccc(OC)cc3)c(O)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-3-4-13-26-18-9-5-15(6-10-18)20-23-19(21(24)27-20)14-22-16-7-11-17(25-2)12-8-16/h5-12,14,24H,3-4,13H2,1-2H3/b22-14+
InChIKeyVMUKPQHROYJXPJ-HYARGMPZSA-N
XLogP4.99
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyphenyl)-4-[(4-iodophenyl)iminomethyl]-1,3-oxazol-5-ol
CID 4987180
2-(4-butoxyphenyl)-4-(cyclohexyliminomethyl)-1,3-oxazol-5-ol
CID 5193577
2-(furan-2-yl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol
CID 3699852
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
CID 5210378
4-[(4-methylphenyl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
CID 571303
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
4-[(4-iodophenyl)iminomethyl]-2-(4-methylphenyl)-1,3-oxazol-5-ol
CID 5016002
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
2-(4-chlorophenyl)-4-[(4-methoxyphenyl)methyliminomethyl]-1,3-oxazol-5-ol
CID 4102719
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
4-[6-[4-[[4-[2-[4-[[4-[4,8-bis(4-dodecoxyphenyl)-2-(4-sulfanylphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]methylideneamino]phenyl]-4,8-bis(4-dodecoxyphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-6-yl]phenyl]iminomethyl]phenyl]-4,8-bis(4-dodecoxyphenyl)-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl]benzenethiol
CID 102319994
5-heptoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 136805542

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The IUPAC name of 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol (CID 5006371) is 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The canonical SMILES for 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol is CCCCOc1ccc(-c2nc(/C=N/c3ccc(OC)cc3)c(O)o2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
The InChIKey is VMUKPQHROYJXPJ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-4-13-26-18-9-5-15(6-10-18)20-23-19(21(24)27-20)14-22-16-7-11-17(25-2)12-8-16/h5-12,14,24H,3-4,13H2,1-2H3/b22-14+.
What are the key properties of 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol?
2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol has a molecular weight of 366.42 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-1,3-oxazol-5-ol is sourced from PubChem (CID 5006371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).