5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole

C14H10INO2 — CID 135041738

IUPAC5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
SMILESCOc1cc2oc(-c3ccccc3)nc2cc1I
InChIInChI=1S/C14H10INO2/c1-17-12-8-13-11(7-10(12)15)16-14(18-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWWADPSWPNDKTBQ-UHFFFAOYSA-N
MW351.14 g/mol
LogP4.11
Rot. Bonds2

About 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole

5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole (PubChem CID 135041738) has the molecular formula C14H10INO2 and a molecular weight of 351.14 g/mol. Its IUPAC name is 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
PubChem CID135041738
Molecular FormulaC14H10INO2
Molecular Weight351.14 g/mol
Exact Mass350.98
IUPAC Name5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
SMILESCOc1cc2oc(-c3ccccc3)nc2cc1I
InChIInChI=1S/C14H10INO2/c1-17-12-8-13-11(7-10(12)15)16-14(18-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWWADPSWPNDKTBQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.14
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diiodo-4-methoxyphenyl)-1,3-benzoxazole
CID 24773372
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
5,5,8,8-tetramethyl-2-phenyl-6,7-dihydrobenzo[f][1,3]benzoxazole
CID 126655849
6-methyl-2-phenyl-5-propan-2-yl-1,3-benzoxazole
CID 140904312
2-(2,3-dimethoxyphenyl)-5-phenyl-1,3-benzoxazole
CID 91684040
5-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenyl-1,3-benzoxazole
CID 53141190
6-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-1,3-benzoxazole
CID 147790794
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
2-(5-amino-2-phenyl-1,3-benzoxazol-6-yl)propan-2-ol;methane
CID 163607211
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole (CID 135041738) is 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole is COc1cc2oc(-c3ccccc3)nc2cc1I.
What is the InChIKey of 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole?
The InChIKey is WWADPSWPNDKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO2/c1-17-12-8-13-11(7-10(12)15)16-14(18-13)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole?
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole has a molecular weight of 351.14 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 135041738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).