(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole

C16H12INO — CID 54769671

IUPAC(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole
SMILESI/C(=C1\CN=C(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C16H12INO/c17-15(12-7-3-1-4-8-12)14-11-18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2/b15-14+
InChIKeySEALXPAEEXEDRJ-CCEZHUSRSA-N
MW361.18 g/mol
LogP4.27
Rot. Bonds2

About (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole

(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole (PubChem CID 54769671) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole
PubChem CID54769671
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole
SMILESI/C(=C1\CN=C(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C16H12INO/c17-15(12-7-3-1-4-8-12)14-11-18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2/b15-14+
InChIKeySEALXPAEEXEDRJ-CCEZHUSRSA-N
XLogP4.27
TPSA21.59 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 ≤ 54.27
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-phenyl-4H-1,3-oxazole-5-thione
CID 163499090
5-benzhydrylidene-2-tert-butyl-4H-1,3-oxazole
CID 122207953
5-methylidene-2-[3-(5-methylidene-4H-1,3-oxazol-2-yl)phenyl]-4H-1,3-oxazole
CID 139721162
(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene
CID 102480003
2,6-diphenyl-5,6-dihydro-4H-1,3-oxazin-5-ol
CID 14650602
2-phenyl-4,5-dihydro-1,3-oxazol-5-ol
CID 135011554
2-(4-chlorophenyl)-4H-1,3-benzoxazine
CID 19099047
2,5-bis(4-phenylphenyl)-3H-1,2,4-oxadiazole
CID 70116871
benzoyl iodide;furan
CID 174563356
6,13-diphenyl-5,12-dioxa-7,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),6,8,10,13-heptaene
CID 118881886
2-(4-methylphenyl)-4H-1,3-oxazol-5-one
CID 10464810
6-butyl-2-phenyl-4H-1,3-oxazine
CID 54769462

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole?
The IUPAC name of (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole (CID 54769671) is (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole is I/C(=C1\CN=C(c2ccccc2)O1)c1ccccc1.
What is the InChIKey of (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole?
The InChIKey is SEALXPAEEXEDRJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H12INO/c17-15(12-7-3-1-4-8-12)14-11-18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2/b15-14+.
What are the key properties of (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole?
(5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole has a molecular weight of 361.18 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[iodo(phenyl)methylidene]-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 54769671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).