4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

C16H10INO2 — CID 1270631

IUPAC4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccccc1I
InChIInChI=1S/C16H10INO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H
InChIKeyBNLRJIBRLZANNH-UHFFFAOYSA-N
MW375.17 g/mol
LogP3.64
Rot. Bonds2

About 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 1270631) has the molecular formula C16H10INO2 and a molecular weight of 375.17 g/mol. Its IUPAC name is 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID1270631
Molecular FormulaC16H10INO2
Molecular Weight375.17 g/mol
Exact Mass374.98
IUPAC Name4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1=Cc1ccccc1I
InChIInChI=1S/C16H10INO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H
InChIKeyBNLRJIBRLZANNH-UHFFFAOYSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(2-iodophenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 55346702
(4E)-4-[(2-chloro-3-pyridinyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 87048179
4-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3109212
(4E)-2-phenyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
CID 690059
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
4-[(2,3-dichlorophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 3427460
(4Z)-4-[(2-nitrophenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665257
2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4232998
(4Z)-4-(chloromethylidene)-2-phenyl-1,3-oxazol-5-one
CID 5369649
(4Z)-2-(4-bromophenyl)-4-[(2-bromophenyl)methylidene]-1,3-oxazol-5-one
CID 1103706
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5399512
[2-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] benzenesulfonate
CID 3108764

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 1270631) is 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1=Cc1ccccc1I.
What is the InChIKey of 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is BNLRJIBRLZANNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one?
4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 375.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 1270631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).