5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole

C16H13NO3 — CID 62707470

IUPAC5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole
SMILESOOCc1cnc(-c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C16H13NO3/c18-19-11-15-10-17-16(20-15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10,18H,11H2
InChIKeyXANLNOOPRIFGPC-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.00
Rot. Bonds4

About 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole

5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole (PubChem CID 62707470) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole
PubChem CID62707470
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole
SMILESOOCc1cnc(-c2cccc(-c3ccccc3)c2)o1
InChIInChI=1S/C16H13NO3/c18-19-11-15-10-17-16(20-15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10,18H,11H2
InChIKeyXANLNOOPRIFGPC-UHFFFAOYSA-N
XLogP4.00
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[3-[(2-phenyl-1,3-oxazol-5-yl)methoxy]propoxymethyl]benzoic acid
CID 20597862
1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087110
2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087128
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
5-[(2-methylphenyl)methyl]-2-phenyl-1,3-oxazole
CID 11414009
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
methyl 3-[5-(3-methoxy-3-oxopropyl)-1,3-oxazol-2-yl]benzoate
CID 21086154
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
methyl (E,2R)-2-hydroxy-2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]methyl]-4-phenylbut-3-enoate
CID 122373659
methyl 3-bromo-2-hydroxy-3-phenyl-2-[(2-phenyl-1,3-oxazol-5-yl)methyl]propanoate
CID 138983945

Frequently Asked Questions

What is the IUPAC name of 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole?
The IUPAC name of 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole (CID 62707470) is 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole is OOCc1cnc(-c2cccc(-c3ccccc3)c2)o1.
What is the InChIKey of 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole?
The InChIKey is XANLNOOPRIFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-19-11-15-10-17-16(20-15)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10,18H,11H2.
What are the key properties of 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole?
5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole has a molecular weight of 267.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroperoxymethyl)-2-(3-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 62707470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).