N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C17H13IN2O2 — CID 39427929

IUPACN-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1
InChIInChI=1S/C17H13IN2O2/c18-13-6-8-14(9-7-13)19-16(21)10-15-11-22-17(20-15)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIZOSMRMKRTYBMC-UHFFFAOYSA-N
MW404.21 g/mol
LogP4.13
Rot. Bonds4

About N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 39427929) has the molecular formula C17H13IN2O2 and a molecular weight of 404.21 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID39427929
Molecular FormulaC17H13IN2O2
Molecular Weight404.21 g/mol
Exact Mass404.00
IUPAC NameN-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESO=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1
InChIInChI=1S/C17H13IN2O2/c18-13-6-8-14(9-7-13)19-16(21)10-15-11-22-17(20-15)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIZOSMRMKRTYBMC-UHFFFAOYSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 54.13
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

N-(4-anilinophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55457295
2-(2-phenyl-1,3-oxazol-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39427955
N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55677449
N-(3,5-difluorophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34169541
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449308
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34304284
2-(2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888893
N-(2-acetylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34805925
N-[3-[(dimethylamino)methyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 86932024

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 39427929) is N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is IZOSMRMKRTYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O2/c18-13-6-8-14(9-7-13)19-16(21)10-15-11-22-17(20-15)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 404.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 39427929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).