(4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole

C21H17NO — CID 6552071

IUPAC(4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NO[C@H](c3ccccc3)[C@H]2c2ccccc2)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/t19-,21+/m0/s1
InChIKeyDBJTVZXFRHLTLT-PZJWPPBQSA-N
MW299.37 g/mol
LogP4.95
Rot. Bonds3

About (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole

(4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole (PubChem CID 6552071) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
PubChem CID6552071
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NO[C@H](c3ccccc3)[C@H]2c2ccccc2)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/t19-,21+/m0/s1
InChIKeyDBJTVZXFRHLTLT-PZJWPPBQSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole (CID 6552071) is (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DBJTVZXFRHLTLT-PZJWPPBQSA-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/t19-,21+/m0/s1.
What are the key properties of (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole?
(4S,5S)-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 (4S,5S)-3,4,5-triphenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 6552071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).