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

C18H16INO4 — CID 90718317

IUPAC3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cc(-c3ccc(I)cc3)no2)cc(OC)c1OC
InChIInChI=1S/C18H16INO4/c1-21-16-8-12(9-17(22-2)18(16)23-3)15-10-14(20-24-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3
InChIKeyWIILOTRAIDLMCY-UHFFFAOYSA-N
MW437.23 g/mol
LogP4.64
Rot. Bonds5

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

3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 90718317) has the molecular formula C18H16INO4 and a molecular weight of 437.23 g/mol. Its IUPAC name is 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID90718317
Molecular FormulaC18H16INO4
Molecular Weight437.23 g/mol
Exact Mass437.01
IUPAC Name3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2cc(-c3ccc(I)cc3)no2)cc(OC)c1OC
InChIInChI=1S/C18H16INO4/c1-21-16-8-12(9-17(22-2)18(16)23-3)15-10-14(20-24-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3
InChIKeyWIILOTRAIDLMCY-UHFFFAOYSA-N
XLogP4.64
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.23
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91549721
3-(3-nitrophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 169224083
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
3-cyclohepta-1,3,4,6-tetraen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91329198
N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
CID 91182234
N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide
CID 142009064
5-[3-[5-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-(214N)1,2-oxazole
CID 123720035
N-(5-chloro-1,3-benzothiazol-2-yl)-2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenoxy]acetamide
CID 118296936
5-chloro-3-(4-iodophenyl)-1,2-oxazole
CID 18612669
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 90718317) is 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2cc(-c3ccc(I)cc3)no2)cc(OC)c1OC.
What is the InChIKey of 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is WIILOTRAIDLMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO4/c1-21-16-8-12(9-17(22-2)18(16)23-3)15-10-14(20-24-15)11-4-6-13(19)7-5-11/h4-10H,1-3H3.
What are the key properties of 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 437.23 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 90718317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).