2-(3-iodophenyl)-5-methyl-1,3-oxazole

C10H8INO — CID 67350132

IUPAC2-(3-iodophenyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2cccc(I)c2)o1
InChIInChI=1S/C10H8INO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-6H,1H3
InChIKeyQNRRCRNLHZTSTA-UHFFFAOYSA-N
MW285.08 g/mol
LogP3.25
Rot. Bonds1

About 2-(3-iodophenyl)-5-methyl-1,3-oxazole

2-(3-iodophenyl)-5-methyl-1,3-oxazole (PubChem CID 67350132) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 2-(3-iodophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-iodophenyl)-5-methyl-1,3-oxazole
PubChem CID67350132
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name2-(3-iodophenyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2cccc(I)c2)o1
InChIInChI=1S/C10H8INO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-6H,1H3
InChIKeyQNRRCRNLHZTSTA-UHFFFAOYSA-N
XLogP3.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methanol
CID 67252704
3-(5-methyl-1,3-oxazol-2-yl)-N-propan-2-ylaniline
CID 115885071
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918
4-(chloromethyl)-2-(3-iodophenyl)-5-methyl-1,3-oxazole
CID 53404213
2-(furan-3-yl)-5-methyl-1,3-oxazole
CID 86014945
2-methoxy-4-(5-methyl-1,3-oxazol-2-yl)aniline
CID 82469941
1-[4-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 136571992
2-(3-iodophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677478
1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
CID 86817334
3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529
1-(3-iodophenyl)-4-methylisoquinoline
CID 142439062
2-(3-iodophenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 171390427

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(3-iodophenyl)-5-methyl-1,3-oxazole (CID 67350132) is 2-(3-iodophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-iodophenyl)-5-methyl-1,3-oxazole is Cc1cnc(-c2cccc(I)c2)o1.
What is the InChIKey of 2-(3-iodophenyl)-5-methyl-1,3-oxazole?
The InChIKey is QNRRCRNLHZTSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-6H,1H3.
What are the key properties of 2-(3-iodophenyl)-5-methyl-1,3-oxazole?
2-(3-iodophenyl)-5-methyl-1,3-oxazole has a molecular weight of 285.08 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 67350132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).