(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole

C10H8INO — CID 12748354

IUPAC(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole
SMILESI/C=C1\CN=C(c2ccccc2)O1
InChIInChI=1S/C10H8INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6H,7H2/b9-6+
InChIKeyMFVVFMYJNYWQBC-RMKNXTFCSA-N
MW285.08 g/mol
LogP2.74
Rot. Bonds1

About (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole

(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole (PubChem CID 12748354) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole
PubChem CID12748354
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole
SMILESI/C=C1\CN=C(c2ccccc2)O1
InChIInChI=1S/C10H8INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6H,7H2/b9-6+
InChIKeyMFVVFMYJNYWQBC-RMKNXTFCSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole?
The IUPAC name of (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole (CID 12748354) is (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole.
What is the SMILES notation for (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole?
The canonical SMILES for (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole is I/C=C1\CN=C(c2ccccc2)O1.
What is the InChIKey of (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole?
The InChIKey is MFVVFMYJNYWQBC-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H8INO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-6H,7H2/b9-6+.
What are the key properties of (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole?
(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole has a molecular weight of 285.08 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 12748354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).