ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole

C24H24NO- — CID 91200994

IUPACethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1.[CH2-]C
InChIInChI=1S/C22H19NO.C2H5/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18;1-2/h2-16,21H,1H3;1H2,2H3/q;-1
InChIKeyDUHPYBRBKFVVTK-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.96
Rot. Bonds3

About ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole

ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (PubChem CID 91200994) has the molecular formula C24H24NO- and a molecular weight of 342.46 g/mol. Its IUPAC name is ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
PubChem CID91200994
Molecular FormulaC24H24NO-
Molecular Weight342.46 g/mol
Exact Mass342.19
IUPAC Nameethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole
SMILESCC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1.[CH2-]C
InChIInChI=1S/C22H19NO.C2H5/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18;1-2/h2-16,21H,1H3;1H2,2H3/q;-1
InChIKeyDUHPYBRBKFVVTK-UHFFFAOYSA-N
XLogP5.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(R,S)-BisPh-mebBox
CID 3701334
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
2-(2,6-difluorophenyl)-4-methyl-4-phenyl-5H-1,3-oxazole
CID 76308796
2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 19956376
2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
(2S)-4-benzyl-2-(fluoromethyl)-2-phenyl-5H-1,3-oxazole
CID 139048239
(4R,5S)-4,5-diphenyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 177851342

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The IUPAC name of ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole (CID 91200994) is ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole.
What is the SMILES notation for ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The canonical SMILES for ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is CC1=NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)O1.[CH2-]C.
What is the InChIKey of ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
The InChIKey is DUHPYBRBKFVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO.C2H5/c1-17-23-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(24-17)18-11-5-2-6-12-18;1-2/h2-16,21H,1H3;1H2,2H3/q;-1.
What are the key properties of ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole?
ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole has a molecular weight of 342.46 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,4,5-triphenyl-5H-1,3-oxazole is sourced from PubChem (CID 91200994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).