5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole

C15H11IN2O3 — CID 23267242

IUPAC5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccc(I)cc1
InChIInChI=1S/C15H11IN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9,14-15H
InChIKeyBYODSLOBALVHGR-UHFFFAOYSA-N
MW394.17 g/mol
LogP3.41
Rot. Bonds3

About 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole

5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 23267242) has the molecular formula C15H11IN2O3 and a molecular weight of 394.17 g/mol. Its IUPAC name is 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID23267242
Molecular FormulaC15H11IN2O3
Molecular Weight394.17 g/mol
Exact Mass393.98
IUPAC Name5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccc(I)cc1
InChIInChI=1S/C15H11IN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9,14-15H
InChIKeyBYODSLOBALVHGR-UHFFFAOYSA-N
XLogP3.41
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole 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

N,N-diethyl-4-(4-nitro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)aniline
CID 23267760
(4S,5R)-5-methyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073343
(4S,5R)-5-ethyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073339
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
(4S,5S)-4-(3-methylphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 22215581
2-[5-(4-methoxyphenyl)-4-nitro-4,5-dihydro-1,2-oxazol-3-yl]-1,3-benzoxazole
CID 23267425
(4R,5R)-5-(4-nitrophenyl)-4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 10620179
(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole
CID 7348293
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225
(4S,5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988226
[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
[(4R,5R)-5-(4-chlorophenyl)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 23643881

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole (CID 23267242) is 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole is O=[N+]([O-])C1C(c2ccccc2)=NOC1c1ccc(I)cc1.
What is the InChIKey of 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is BYODSLOBALVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O3/c16-12-8-6-11(7-9-12)15-14(18(19)20)13(17-21-15)10-4-2-1-3-5-10/h1-9,14-15H.
What are the key properties of 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 394.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23267242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).