2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole

C24H22N2O — CID 91407611

IUPAC2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CC2C2=NCCO2)cc1
InChIInChI=1S/C24H22N2O/c1-4-10-19(11-5-1)24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-18-22(26)23-25-16-17-27-23/h1-15,22H,16-18H2
InChIKeyQOCKHWZHLUSWBK-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.09
Rot. Bonds5

About 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole

2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 91407611) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID91407611
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CC2C2=NCCO2)cc1
InChIInChI=1S/C24H22N2O/c1-4-10-19(11-5-1)24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-18-22(26)23-25-16-17-27-23/h1-15,22H,16-18H2
InChIKeyQOCKHWZHLUSWBK-UHFFFAOYSA-N
XLogP4.09
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trifenmorph
CID 14993
[(2S,3S)-3-methyl-1-(triphenylmethyl)aziridin-2-yl]methanol
CID 9996682
((2S)-1-(triphenylmethyl)aziridin-2-yl)methanol
CID 10403433
[(2R)-1-(Triphenylmethyl)aziridin-2-YL]methanol
CID 124514979
[(2S,3R)-3-methyl-1-(triphenylmethyl)aziridin-2-yl]methanol
CID 132327726
[1-(Triphenylmethyl)aziridin-2-yl]methanol
CID 15305845
(4R)-4-(fluoromethyl)-3-trityl-1,3-oxazolidine
CID 146633854
4,4-dimethyl-2-[(2S)-1-tritylaziridin-2-yl]-5H-1,3-oxazole
CID 17747928
tributyl-[(2S,3R)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-tritylaziridin-2-yl]stannane
CID 17747990
2-(1-Benzylaziridin-2-yl)-4,5-dihydro-1,3-oxazole
CID 91616257
4,4-dimethyl-2-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole
CID 101789576
4,4-dimethyl-2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole
CID 101789577

Frequently Asked Questions

What is the IUPAC name of 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole (CID 91407611) is 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole is c1ccc(C(c2ccccc2)(c2ccccc2)N2CC2C2=NCCO2)cc1.
What is the InChIKey of 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QOCKHWZHLUSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-4-10-19(11-5-1)24(20-12-6-2-7-13-20,21-14-8-3-9-15-21)26-18-22(26)23-25-16-17-27-23/h1-15,22H,16-18H2.
What are the key properties of 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole?
2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 354.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tritylaziridin-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 91407611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).