4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole

C16H14INO3 — CID 135070410

IUPAC4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
SMILESO=I(=O)c1ccccc1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C16H14INO3/c19-17(20)15-9-5-4-8-14(15)16-18-13(11-21-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyBHODSWUNQMVNQY-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.44
Rot. Bonds4

About 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole

4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 135070410) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID135070410
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Name4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
SMILESO=I(=O)c1ccccc1C1=NC(Cc2ccccc2)CO1
InChIInChI=1S/C16H14INO3/c19-17(20)15-9-5-4-8-14(15)16-18-13(11-21-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyBHODSWUNQMVNQY-UHFFFAOYSA-N
XLogP3.44
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
CID 141438666
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730
4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 46930892
(4R)-4-benzyl-2-[6-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
CID 25139688
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 146013653
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(3,5-dimethylphenyl)methyl]aniline
CID 102499053

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole (CID 135070410) is 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole is O=I(=O)c1ccccc1C1=NC(Cc2ccccc2)CO1.
What is the InChIKey of 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BHODSWUNQMVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c19-17(20)15-9-5-4-8-14(15)16-18-13(11-21-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2.
What are the key properties of 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole?
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 395.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135070410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).