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

C21H17NO — CID 533750

IUPAC3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15,19,21H
InChIKeyDBJTVZXFRHLTLT-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.95
Rot. Bonds3

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

3,4,5-triphenyl-4,5-dihydro-1,2-oxazole (PubChem CID 533750) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
PubChem CID533750
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C21H17NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15,19,21H
InChIKeyDBJTVZXFRHLTLT-UHFFFAOYSA-N
XLogP4.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Benzoin oxime
CID 9924
Cupron
CID 5354084
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
4H-Indeno(2,1-d)isoxazole, 3a,8b-dihydro-3-phenyl-
CID 213912
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole (CID 533750) is 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NOC(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DBJTVZXFRHLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)22-23-21(19)18-14-8-3-9-15-18/h1-15,19,21H.
What are the key properties of 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
3,4,5-triphenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 299.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 533750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).