5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole

C16H12INO — CID 5027296

IUPAC5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C16H12INO/c1-11-2-4-13(5-3-11)16-18-10-15(19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
InChIKeyLCLQBARINXAOCL-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.92
Rot. Bonds2

About 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole

5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 5027296) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID5027296
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(-c3ccc(I)cc3)o2)cc1
InChIInChI=1S/C16H12INO/c1-11-2-4-13(5-3-11)16-18-10-15(19-16)12-6-8-14(17)9-7-12/h2-10H,1H3
InChIKeyLCLQBARINXAOCL-UHFFFAOYSA-N
XLogP4.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.92
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

2-(4-iodophenyl)-5-phenyl-1,3-oxazole
CID 19894925
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 171457388
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-oxazole
CID 10422311
2-(4-phenylphenyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 71327926
N,N-dimethyl-5-(4-methylphenyl)-1,3-oxazol-2-amine
CID 121014240
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium
CID 91738493
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole (CID 5027296) is 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2ncc(-c3ccc(I)cc3)o2)cc1.
What is the InChIKey of 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is LCLQBARINXAOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c1-11-2-4-13(5-3-11)16-18-10-15(19-16)12-6-8-14(17)9-7-12/h2-10H,1H3.
What are the key properties of 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole?
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 361.18 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 5027296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).