3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide

C16H16INO — CID 175292695

IUPAC3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide
SMILESCN1COC(c2ccccc2)=C1c1ccccc1.I
InChIInChI=1S/C16H15NO.HI/c1-17-12-18-16(14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13;/h2-11H,12H2,1H3;1H
InChIKeyGUFQRELITKGLKU-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.05
Rot. Bonds2

About 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide

3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide (PubChem CID 175292695) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide.

Molecular Properties

Compound Name3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide
PubChem CID175292695
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide
SMILESCN1COC(c2ccccc2)=C1c1ccccc1.I
InChIInChI=1S/C16H15NO.HI/c1-17-12-18-16(14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13;/h2-11H,12H2,1H3;1H
InChIKeyGUFQRELITKGLKU-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 45088049
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CID 161180948
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CID 86144116
1-methyl-5,6-diphenyl-3,4-dihydro-2H-pyridine;hydrochloride
CID 54609270
1,1'-biphenyl;hydroiodide
CID 66586334
2',8'-dimethyl-4,5-diphenylspiro[1,3-dioxa-2lambda5-phosphacyclopent-4-ene-2,1'-2,5,8-triaza-1lambda5-phosphabicyclo[3.3.0]octane]
CID 12668363
5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine
CID 164983625
2,4-dimethyl-3-phenyl-1,2-oxazol-5-one
CID 604974
17-methyl-4,5,10,11,15,16,21,22-octakis-phenyl-1,3,6,9,12,14,17,20-octazatetracyclo[18.2.1.13,6.19,12]pentacosa-4,10,15,21-tetraene
CID 158163602
benzene;1,1'-biphenyl;ethane
CID 158550617
4-methyl-5-phenyl-1,3,2-dioxathiole 2-oxide
CID 139915920
5-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-2H-1,3-oxazol-3-amine
CID 88611189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide?
The IUPAC name of 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide (CID 175292695) is 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide.
What is the SMILES notation for 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide?
The canonical SMILES for 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide is CN1COC(c2ccccc2)=C1c1ccccc1.I.
What is the InChIKey of 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide?
The InChIKey is GUFQRELITKGLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.HI/c1-17-12-18-16(14-10-6-3-7-11-14)15(17)13-8-4-2-5-9-13;/h2-11H,12H2,1H3;1H.
What are the key properties of 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide?
3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide has a molecular weight of 365.21 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-diphenyl-2H-1,3-oxazole;hydroiodide is sourced from PubChem (CID 175292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).