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

C22H19N3O2 — CID 95062084

IUPAC(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H19N3O2/c26-22(20-16-21(27-24-20)17-10-4-1-5-11-17)23-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,26)/t21-/m0/s1
InChIKeyUZIYNLCNEDTXOZ-NRFANRHFSA-N
MW357.41 g/mol
LogP4.37
Rot. Bonds5

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

(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide (PubChem CID 95062084) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
PubChem CID95062084
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H19N3O2/c26-22(20-16-21(27-24-20)17-10-4-1-5-11-17)23-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,26)/t21-/m0/s1
InChIKeyUZIYNLCNEDTXOZ-NRFANRHFSA-N
XLogP4.37
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The IUPAC name of (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide (CID 95062084) is (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide is O=C(NN(c1ccccc1)c1ccccc1)C1=NO[C@H](c2ccccc2)C1.
What is the InChIKey of (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
The InChIKey is UZIYNLCNEDTXOZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-22(20-16-21(27-24-20)17-10-4-1-5-11-17)23-25(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide?
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide has a molecular weight of 357.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 95062084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).