2-trityl-4,5-dihydro-1,3-oxazole

C22H19NO — CID 24799664

IUPAC2-trityl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C(C2=NCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-18(11-5-1)22(21-23-16-17-24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyPHFOYYZFWZIUBU-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.45
Rot. Bonds4

About 2-trityl-4,5-dihydro-1,3-oxazole

2-trityl-4,5-dihydro-1,3-oxazole (PubChem CID 24799664) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-trityl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-trityl-4,5-dihydro-1,3-oxazole
PubChem CID24799664
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name2-trityl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C(C2=NCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO/c1-4-10-18(11-5-1)22(21-23-16-17-24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyPHFOYYZFWZIUBU-UHFFFAOYSA-N
XLogP4.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trityl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-trityl-4,5-dihydro-1,3-oxazole (CID 24799664) is 2-trityl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-trityl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-trityl-4,5-dihydro-1,3-oxazole is c1ccc(C(C2=NCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-trityl-4,5-dihydro-1,3-oxazole?
The InChIKey is PHFOYYZFWZIUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-4-10-18(11-5-1)22(21-23-16-17-24-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 2-trityl-4,5-dihydro-1,3-oxazole?
2-trityl-4,5-dihydro-1,3-oxazole has a molecular weight of 313.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trityl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 24799664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).