4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole

C17H14INO2 — CID 174479786

IUPAC4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccccc1-c1nc(CI)c(-c2ccccc2)o1
InChIInChI=1S/C17H14INO2/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyAINFVLPOXZDZTB-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.95
Rot. Bonds4

About 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole

4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole (PubChem CID 174479786) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole
PubChem CID174479786
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccccc1-c1nc(CI)c(-c2ccccc2)o1
InChIInChI=1S/C17H14INO2/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyAINFVLPOXZDZTB-UHFFFAOYSA-N
XLogP4.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylbenzenesulfonamide
CID 53051082
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
N-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,4-dimethylbenzenesulfonamide
CID 53051081
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole (CID 174479786) is 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole is COc1ccccc1-c1nc(CI)c(-c2ccccc2)o1.
What is the InChIKey of 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole?
The InChIKey is AINFVLPOXZDZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2/c1-20-15-10-6-5-9-13(15)17-19-14(11-18)16(21-17)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole?
4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole has a molecular weight of 391.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-(2-methoxyphenyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 174479786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).