4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid

C10H6INO3 — CID 141290012

IUPAC4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccccc2)c1I
InChIInChI=1S/C10H6INO3/c11-7-8(10(13)14)12-15-9(7)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyZSNWZHXLQGGRRV-UHFFFAOYSA-N
MW315.07 g/mol
LogP2.64
Rot. Bonds2

About 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid

4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid (PubChem CID 141290012) has the molecular formula C10H6INO3 and a molecular weight of 315.07 g/mol. Its IUPAC name is 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
PubChem CID141290012
Molecular FormulaC10H6INO3
Molecular Weight315.07 g/mol
Exact Mass314.94
IUPAC Name4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccccc2)c1I
InChIInChI=1S/C10H6INO3/c11-7-8(10(13)14)12-15-9(7)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKeyZSNWZHXLQGGRRV-UHFFFAOYSA-N
XLogP2.64
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.07
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-5-phenyl-1,2-oxazole
CID 122223983
4-(1,1-difluoroethyl)-5-phenyl-1,2-oxazole-3-carboxylic acid
CID 58537182
5-phenyl-4-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 67455256
(4-nitroso-5-phenyl-1,2-oxazol-3-yl)-phenylmethanone
CID 87092127
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1,2-oxazole-3-carboxylic acid
CID 142773781
4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 105470722
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
4-chloro-5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83912649
2-[(4-iodo-5-phenyl-1,2-oxazol-3-yl)oxy]ethanamine
CID 19596727
4-methyl-5-(4-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82085722
4-[1-(2-hydroxyethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608952
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid (CID 141290012) is 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(-c2ccccc2)c1I.
What is the InChIKey of 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZSNWZHXLQGGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO3/c11-7-8(10(13)14)12-15-9(7)6-4-2-1-3-5-6/h1-5H,(H,13,14).
What are the key properties of 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid?
4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 315.07 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-phenyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 141290012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).