(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole

C12H10INO — CID 45112531

IUPAC(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
SMILESI/C=C1\CN=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H10INO/c13-8-11-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+,11-8+
InChIKeyOKTWYZMCASPYMM-HRCSPUOPSA-N
MW311.12 g/mol
LogP3.40
Rot. Bonds2

About (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole

(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole (PubChem CID 45112531) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole.

Molecular Properties

Compound Name(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
PubChem CID45112531
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
SMILESI/C=C1\CN=C(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H10INO/c13-8-11-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+,11-8+
InChIKeyOKTWYZMCASPYMM-HRCSPUOPSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.40
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-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
(5E)-5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole
CID 12748354
2-Styryl-4,5-dihydrooxazole
CID 54104859
Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene
CID 66694655
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
4-Ethyl-2-styryl-4,5-dihydrooxazole
CID 102025125
5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
CID 102163817
(2-phenyl-4H-1,3-oxazol-5-ylidene)methyliodanium
CID 135044788
5-(iodomethylidene)-2-phenyl-4H-1,3-oxazole
CID 135044789
4-Ethenyl-2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
CID 68720148
2-(2-phenylethenyl)-4H-1,3-oxazol-5-one
CID 69622187
2-Prop-1-enyl-4,5-dihydro-1,3-oxazole;styrene
CID 157377020

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The IUPAC name of (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole (CID 45112531) is (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole.
What is the SMILES notation for (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The canonical SMILES for (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole is I/C=C1\CN=C(/C=C/c2ccccc2)O1.
What is the InChIKey of (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
The InChIKey is OKTWYZMCASPYMM-HRCSPUOPSA-N. The full InChI is InChI=1S/C12H10INO/c13-8-11-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-8H,9H2/b7-6+,11-8+.
What are the key properties of (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole?
(5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole has a molecular weight of 311.12 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(iodomethylidene)-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole is sourced from PubChem (CID 45112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).