3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one

C15H9FINO2 — CID 164685360

IUPAC3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(I)n1-c1cccc(F)c1
InChIInChI=1S/C15H9FINO2/c16-11-7-4-8-12(9-11)18-14(17)13(20-15(18)19)10-5-2-1-3-6-10/h1-9H
InChIKeyMKXBMASSAFFXSB-UHFFFAOYSA-N
MW381.14 g/mol
LogP3.84
Rot. Bonds2

About 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one

3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one (PubChem CID 164685360) has the molecular formula C15H9FINO2 and a molecular weight of 381.14 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one
PubChem CID164685360
Molecular FormulaC15H9FINO2
Molecular Weight381.14 g/mol
Exact Mass380.97
IUPAC Name3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)c(I)n1-c1cccc(F)c1
InChIInChI=1S/C15H9FINO2/c16-11-7-4-8-12(9-11)18-14(17)13(20-15(18)19)10-5-2-1-3-6-10/h1-9H
InChIKeyMKXBMASSAFFXSB-UHFFFAOYSA-N
XLogP3.84
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.14
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Fluorophenyl)-3-phenyl-1,3-oxazolidin-2-one
CID 137648272
3-(3-Fluorophenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 137652444
Benzyl phenylcarbamate
CID 319368
(3-Fluorophenyl)carbamic acid benzyl ester
CID 895321
3,5-Diphenyloxazol-2-one
CID 461786
benzyl N-(3-fluoro-2-methylphenyl)carbamate
CID 1518780
5H-Dibenz[b,f]azepine-5-carboxylic acid, 10-methoxy-, methyl ester
CID 11208289
2(3H)-Oxazolone, 3,4,5-triphenyl-
CID 253591
N-Cbz-4-iodoaniline
CID 1245679
Phenyl-carbamic acid 2,2,2-trifluoro-1-phenyl-ethyl ester
CID 3697950
3-(4-Fluorophenyl)-5-phenyl-1,3-oxazol-2-one
CID 101847272
5-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-one
CID 102264524

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one (CID 164685360) is 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)c(I)n1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one?
The InChIKey is MKXBMASSAFFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FINO2/c16-11-7-4-8-12(9-11)18-14(17)13(20-15(18)19)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one?
3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one has a molecular weight of 381.14 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-iodo-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 164685360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).