[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine

C21H19N3O — CID 174653712

IUPAC[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine
SMILESNNc1cc(-c2nc3ccccc3o2)ccc1CCc1ccccc1
InChIInChI=1S/C21H19N3O/c22-24-19-14-17(21-23-18-8-4-5-9-20(18)25-21)13-12-16(19)11-10-15-6-2-1-3-7-15/h1-9,12-14,24H,10-11,22H2
InChIKeyNBOXUIIEZRRKDT-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.57
Rot. Bonds5

About [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine

[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine (PubChem CID 174653712) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine
PubChem CID174653712
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine
SMILESNNc1cc(-c2nc3ccccc3o2)ccc1CCc1ccccc1
InChIInChI=1S/C21H19N3O/c22-24-19-14-17(21-23-18-8-4-5-9-20(18)25-21)13-12-16(19)11-10-15-6-2-1-3-7-15/h1-9,12-14,24H,10-11,22H2
InChIKeyNBOXUIIEZRRKDT-UHFFFAOYSA-N
XLogP4.57
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[4-(1,3-benzoxazol-2-yl)-2-hydrazinylphenyl]ethyl]benzoate
CID 175273695
[5-(1,3-benzoxazol-2-yl)-2-cyclopropylphenyl]hydrazine
CID 174653624
5-(1,3-benzoxazol-2-yl)-2-butylaniline
CID 159857474
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
CID 10149217
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 21413791
5-(1,3-benzoxazol-2-yl)-2-benzylisoindole-1,3-dione
CID 2204236
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 70830032
5-(1,3-benzoxazol-2-yl)-2-(cyclopentyloxymethyl)-N-tritylaniline
CID 54077454
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
3-[[2-[4-(2-phenylethyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]methylamino]propanoic acid
CID 11488190

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine?
The IUPAC name of [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine (CID 174653712) is [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine.
What is the SMILES notation for [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine?
The canonical SMILES for [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine is NNc1cc(-c2nc3ccccc3o2)ccc1CCc1ccccc1.
What is the InChIKey of [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine?
The InChIKey is NBOXUIIEZRRKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-24-19-14-17(21-23-18-8-4-5-9-20(18)25-21)13-12-16(19)11-10-15-6-2-1-3-7-15/h1-9,12-14,24H,10-11,22H2.
What are the key properties of [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine?
[5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine has a molecular weight of 329.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzoxazol-2-yl)-2-(2-phenylethyl)phenyl]hydrazine is sourced from PubChem (CID 174653712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).